Ligand source activities (1 row/activity)



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Ligands Receptor Assay information Chemical information
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name		 GPCRdb ID #Vendors Reference
ligand		 Fold selectivity
(Potency)		 # tested GPCRs
(Potency)		 Species p-value
(-log)		 Type Activity
Relation		 Activity
Value		 Assay Type Assay Description Source Mol
weight		 Rot
Bonds		 H don H acc LogP Smiles DOI
127034769 135971 0 None - 1 Human 11.0 pEC50 = 11.0 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 812 23 8 10 -1.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(N)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736177 135971 0 None - 1 Human 11.0 pEC50 = 11.0 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 812 23 8 10 -1.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(N)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347491 207798 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3735159 210432 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL583102 214004 5 None -2 2 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
127035105 135897 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 784 23 8 9 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(N)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735427 135897 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 784 23 8 9 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(N)=O)C(N)=O 10.1039/C4MD00514G
127034749 135827 0 None 33 2 Rat 10.9 pEC50 = 10.9 Functional
Agonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3734811 135827 0 None 33 2 Rat 10.9 pEC50 = 10.9 Functional
Agonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
127034928 135999 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736361 135999 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347513 207820 0 None - 1 Human 10.8 pEC50 = 10.8 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3735858 210434 0 None - 1 Human 10.8 pEC50 = 10.8 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736299 210437 0 None - 1 Human 10.8 pEC50 = 10.8 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3734932 210430 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736512 210442 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
102531127 135938 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 869 28 8 10 0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735812 135938 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 869 28 8 10 0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
127034748 135878 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735306 135878 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
108147 3526 29 None 1 4 Rat 10.6 pEC50 = 10.6 Functional
Agonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None None 10.1039/C4MD00514G
2127 3526 29 None 1 4 Rat 10.6 pEC50 = 10.6 Functional
Agonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None None 10.1039/C4MD00514G
CHEMBL106124 3526 29 None 1 4 Rat 10.6 pEC50 = 10.6 Functional
Agonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None None 10.1039/C4MD00514G
CHEMBL2347510 207817 0 None - 1 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3736459 210441 0 None - 1 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347512 207819 0 None - 1 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
125111645 135972 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 841 26 8 10 -0.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736185 135972 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 841 26 8 10 -0.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
102531125 135865 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735210 135865 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735951 210435 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347496 207803 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
127035706 135841 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 880 26 9 10 0.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3734892 135841 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 880 26 9 10 0.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347492 207799 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347498 207805 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347508 207815 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347494 207801 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347509 207816 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347497 207804 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
91809194 135867 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 857 26 9 11 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735225 135867 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 857 26 9 11 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347493 207800 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
127035106 135844 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 800 23 9 10 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NO)C(N)=O 10.1039/C4MD00514G
CHEMBL3734921 135844 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 800 23 9 10 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NO)C(N)=O 10.1039/C4MD00514G
CHEMBL2347495 207802 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(N)=O 10.1016/j.bmc.2013.01.036
102531124 135974 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 807 26 8 10 -0.2 CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O 10.1039/C4MD00514G
CHEMBL3736198 135974 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 807 26 8 10 -0.2 CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O 10.1039/C4MD00514G
CHEMBL2347489 207797 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2370235 208065 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3736313 210438 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1039/C4MD00514G
102531123 135979 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 793 25 8 10 -0.6 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736227 135979 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 793 25 8 10 -0.6 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347488 207796 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347506 207813 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347361 207794 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347662 207826 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347657 207821 2 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347511 207818 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347659 207823 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
127035368 135951 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735963 135951 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
127035367 135889 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735396 135889 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347499 207806 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347501 207808 0 None - 1 Human 10.0 pEC50 = 10.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347660 207824 0 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347661 207825 0 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347502 207809 0 None - 1 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL436706 211938 0 None 16 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
10328936 1517 28 None -2 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
2086 1517 28 None -2 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
2955 1517 28 None -2 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
CHEMBL373569 1517 28 None -2 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
CHEMBL2347362 207795 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347507 207814 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL583102 214004 5 None 2 2 Guinea pig 9.2 pEC50 = 9.2 Functional
Agonist activity at guinea pig NK3 receptor expressed in cells assessed as accumulation of [3H]inositol phosphateAgonist activity at guinea pig NK3 receptor expressed in cells assessed as accumulation of [3H]inositol phosphate
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm900948q
CHEMBL583102 214004 5 None -2 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human NK3 receptor expressed in cells assessed as accumulation of [3H]inositol phosphateAgonist activity at human NK3 receptor expressed in cells assessed as accumulation of [3H]inositol phosphate
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm900948q
CHEMBL583102 214004 5 None -2 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsAgonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm2017072
CHEMBL81919 214109 0 None 676 2 Guinea pig 9.1 pEC50 = 9.1 Functional
Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1021/jm00112a018
CHEMBL2347658 207822 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
53323748 58095 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 434 6 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccs2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682949 58095 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 434 6 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccs2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53317130 58088 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 7 1 3 5.7 CC[C@H](NC(=O)c1c(C[S@@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682942 58088 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 7 1 3 5.7 CC[C@H](NC(=O)c1c(C[S@@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53318420 58096 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 434 6 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccsc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682950 58096 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 434 6 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccsc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL2347503 207810 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347500 207807 6 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(N)=O 10.1016/j.bmc.2013.01.036
44355368 25437 0 None -173 3 Rat 5.0 pEC50 = 5.0 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 737 22 6 8 1.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O 10.1021/jm00100a027
CHEMBL135186 25437 0 None -173 3 Rat 5.0 pEC50 = 5.0 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 737 22 6 8 1.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O 10.1021/jm00100a027
53317537 58099 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 435 6 1 5 5.0 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cscn2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682953 58099 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 435 6 1 5 5.0 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cscn2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53325578 58097 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccn2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682951 58097 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccn2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
10055612 95978 0 None -295 3 Rat 5.0 pEC50 = 5.0 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 711 23 7 8 0.9 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O 10.1021/jm00100a027
CHEMBL262049 95978 0 None -295 3 Rat 5.0 pEC50 = 5.0 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 711 23 7 8 0.9 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O 10.1021/jm00100a027
5311135 21523 10 None -316 3 Rat 5.9 pEC50 = 5.9 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 920 29 11 13 -2.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O 10.1021/jm00100a027
CHEMBL131872 21523 10 None -316 3 Rat 5.9 pEC50 = 5.9 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 920 29 11 13 -2.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O 10.1021/jm00100a027
53325016 58104 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 499 8 1 4 5.0 CC[C@H](NC(=O)c1c([S+]([O-])CC(=O)N(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682958 58104 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 499 8 1 4 5.0 CC[C@H](NC(=O)c1c([S+]([O-])CC(=O)N(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
14860666 104940 0 None 3 2 Guinea pig 7.9 pEC50 = 7.9 Functional
Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.
ChEMBL 710 21 6 8 1.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1021/jm00112a018
CHEMBL311917 104940 0 None 3 2 Guinea pig 7.9 pEC50 = 7.9 Functional
Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.
ChEMBL 710 21 6 8 1.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1021/jm00112a018
53324128 58107 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682961 58107 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
16065390 58086 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 444 6 1 4 5.2 CC[C@H](NC(=O)c1c(S(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682940 58086 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 444 6 1 4 5.2 CC[C@H](NC(=O)c1c(S(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53318840 58114 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 440 6 1 3 5.5 C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2010.11.003
CHEMBL1682968 58114 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 440 6 1 3 5.5 C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2010.11.003
53323749 58103 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 456 7 1 3 6.3 CC[C@H](NC(=O)c1c([S+]([O-])C(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682957 58103 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 456 7 1 3 6.3 CC[C@H](NC(=O)c1c([S+]([O-])C(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53326690 58115 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 426 5 1 3 5.1 C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1(c2ccccc2)CC1 10.1016/j.bmcl.2010.11.003
CHEMBL1682969 58115 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 426 5 1 3 5.1 C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1(c2ccccc2)CC1 10.1016/j.bmcl.2010.11.003
53317131 58093 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682947 58093 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53322796 58106 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 6 1 3 5.8 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2c(C)cccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682960 58106 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 6 1 3 5.8 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2c(C)cccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL583102 214004 5 None -2 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsAgonist activity at human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm2017072
16064397 58090 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 458 7 1 4 5.3 CC[C@H](NC(=O)c1c(CS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682944 58090 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 458 7 1 4 5.3 CC[C@H](NC(=O)c1c(CS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53325439 58110 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 471 7 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(N(C)C)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682964 58110 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 471 7 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(N(C)C)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53326317 58100 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 435 6 1 5 5.0 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cncs2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682954 58100 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 435 6 1 5 5.0 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cncs2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL3361400 209835 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation countingAgonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O 10.1021/jm500771w
16065257 58084 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 428 6 1 3 5.5 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682938 58084 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 428 6 1 3 5.5 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53325015 58101 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 418 6 2 4 4.2 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cc[nH]n2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682955 58101 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 418 6 2 4 4.2 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cc[nH]n2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
44355648 96676 0 None -58 3 Rat 5.6 pEC50 = 5.6 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 994 29 10 13 -1.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C2C1=O)C(N)=O 10.1021/jm00100a027
CHEMBL267712 96676 0 None -58 3 Rat 5.6 pEC50 = 5.6 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 994 29 10 13 -1.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C2C1=O)C(N)=O 10.1021/jm00100a027
44355117 21588 0 None -45 3 Rat 5.6 pEC50 = 5.6 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 946 28 10 13 -2.1 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C2C1=O)C(N)=O 10.1021/jm00100a027
CHEMBL131923 21588 0 None -45 3 Rat 5.6 pEC50 = 5.6 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 946 28 10 13 -2.1 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C2C1=O)C(N)=O 10.1021/jm00100a027
CHEMBL3361398 209833 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation countingAgonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O 10.1021/jm500771w
108147 3526 29 None -7 4 Human 8.5 pEC50 = 8.5 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
2127 3526 29 None -7 4 Human 8.5 pEC50 = 8.5 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
CHEMBL106124 3526 29 None -7 4 Human 8.5 pEC50 = 8.5 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
53325403 58091 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 456 8 1 3 5.7 CC[C@H](NC(=O)c1c(CC[S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682945 58091 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 456 8 1 3 5.7 CC[C@H](NC(=O)c1c(CC[S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL2370372 208094 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL583102 214004 5 None -2 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsAgonist activity at human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm2017072
53321471 58112 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 6 1 3 5.8 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(C)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682966 58112 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 6 1 3 5.8 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(C)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53308735 58085 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 428 6 1 3 5.5 CC[C@H](NC(=O)c1c([S@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682939 58085 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 428 6 1 3 5.5 CC[C@H](NC(=O)c1c([S@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL3361397 209832 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation countingAgonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
ChEMBL None None None CSCC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1021/jm500771w
16065392 58087 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 426 7 1 3 6.6 CC[C@H](NC(=O)c1c(CSC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682941 58087 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 426 7 1 3 6.6 CC[C@H](NC(=O)c1c(CSC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL3361401 209836 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation countingAgonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](N)Cc1ccccc1)C(N)=O 10.1021/jm500771w
16036824 58083 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 412 6 1 3 6.5 CC[C@H](NC(=O)c1c(SC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682937 58083 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 412 6 1 3 6.5 CC[C@H](NC(=O)c1c(SC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53320155 58109 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 472 8 1 4 5.9 CCOc1ccc2c(C(=O)N[C@@H](CC)c3ccccc3)c([S+](C)[O-])c(-c3ccccc3)nc2c1 10.1016/j.bmcl.2010.11.003
CHEMBL1682963 58109 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 472 8 1 4 5.9 CCOc1ccc2c(C(=O)N[C@@H](CC)c3ccccc3)c([S+](C)[O-])c(-c3ccccc3)nc2c1 10.1016/j.bmcl.2010.11.003
53325440 58116 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 440 5 1 3 5.4 C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1(c2ccccc2)CCC1 10.1016/j.bmcl.2010.11.003
CHEMBL1682970 58116 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 440 5 1 3 5.4 C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1(c2ccccc2)CCC1 10.1016/j.bmcl.2010.11.003
16065257 58084 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 428 6 1 3 5.5 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682938 58084 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 428 6 1 3 5.5 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53326315 58094 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682948 58094 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL441061 212131 16 None -2 2 Guinea pig 8.3 pEC50 = 8.3 Functional
Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl esterEffective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1021/jm00112a018
CHEMBL2347504 207811 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(N)=O 10.1016/j.bmc.2013.01.036
53322797 58111 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 506 6 1 3 6.3 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(Br)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682965 58111 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 506 6 1 3 6.3 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(Br)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53322390 58089 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 7 1 3 5.7 CC[C@H](NC(=O)c1c(C[S@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682943 58089 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 7 1 3 5.7 CC[C@H](NC(=O)c1c(C[S@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
10328936 1517 28 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cells
ChEMBL None None None None 10.1016/j.bmcl.2006.08.086
2086 1517 28 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cells
ChEMBL None None None None 10.1016/j.bmcl.2006.08.086
2955 1517 28 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cells
ChEMBL None None None None 10.1016/j.bmcl.2006.08.086
CHEMBL373569 1517 28 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cells
ChEMBL None None None None 10.1016/j.bmcl.2006.08.086
2089 2725 21 None -45 8 Human 7.3 pEC50 = 7.3 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
3795 2725 21 None -45 8 Human 7.3 pEC50 = 7.3 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
5311311 2725 21 None -45 8 Human 7.3 pEC50 = 7.3 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL217406 2725 21 None -45 8 Human 7.3 pEC50 = 7.3 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
2089 2725 21 None -562 8 Rat 6.3 pEC50 = 6.3 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
3795 2725 21 None -562 8 Rat 6.3 pEC50 = 6.3 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
5311311 2725 21 None -562 8 Rat 6.3 pEC50 = 6.3 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
CHEMBL217406 2725 21 None -562 8 Rat 6.3 pEC50 = 6.3 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
2090 2726 20 None -2 9 Human 8.2 pEC50 = 8.2 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
5311312 2726 20 None -2 9 Human 8.2 pEC50 = 8.2 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL437797 2726 20 None -2 9 Human 8.2 pEC50 = 8.2 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
2090 2726 20 None -1 9 Rat 8.2 pEC50 = 8.2 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
5311312 2726 20 None -1 9 Rat 8.2 pEC50 = 8.2 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
CHEMBL437797 2726 20 None -1 9 Rat 8.2 pEC50 = 8.2 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
10328936 1517 28 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
2086 1517 28 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
2955 1517 28 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
CHEMBL373569 1517 28 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
16065391 58102 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 7 1 3 5.9 CC[C@H](NC(=O)c1c([S+]([O-])CC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682956 58102 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 7 1 3 5.9 CC[C@H](NC(=O)c1c([S+]([O-])CC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL583102 214004 5 None -2 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation countingAgonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm500771w
53326316 58098 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccnc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682952 58098 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccnc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
108147 3526 29 None -7 4 Human 8.2 pEC50 = 8.2 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
2127 3526 29 None -7 4 Human 8.2 pEC50 = 8.2 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL106124 3526 29 None -7 4 Human 8.2 pEC50 = 8.2 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
53326688 58108 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 462 6 1 3 6.2 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(Cl)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682962 58108 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 462 6 1 3 6.2 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(Cl)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53320156 58117 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1cccnc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682972 58117 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1cccnc1 10.1016/j.bmcl.2010.11.003
2098 3638 31 None -1949 11 Rat 5.1 pEC50 = 5.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
36511 3638 31 None -1949 11 Rat 5.1 pEC50 = 5.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
3805 3638 31 None -1949 11 Rat 5.1 pEC50 = 5.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
3835 3638 31 None -1949 11 Rat 5.1 pEC50 = 5.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
CHEMBL235363 3638 31 None -1949 11 Rat 5.1 pEC50 = 5.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
53322798 58118 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1016/j.bmcl.2010.11.003
CHEMBL1682973 58118 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1016/j.bmcl.2010.11.003
2098 3638 31 None -616 11 Human 6.1 pEC50 = 6.1 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
36511 3638 31 None -616 11 Human 6.1 pEC50 = 6.1 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
3805 3638 31 None -616 11 Human 6.1 pEC50 = 6.1 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
3835 3638 31 None -616 11 Human 6.1 pEC50 = 6.1 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL235363 3638 31 None -616 11 Human 6.1 pEC50 = 6.1 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
53321470 58105 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682959 58105 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53318419 58092 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682946 58092 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL134481 206987 0 None -25 3 Rat 6.1 pEC50 = 6.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(N)=O 10.1021/jm00100a027
CHEMBL335054 209734 0 None -288 3 Rat 6.1 pEC50 = 6.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O 10.1021/jm00100a027
53326689 58113 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 485 8 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(CN(C)C)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682967 58113 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 485 8 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(CN(C)C)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL3361399 209834 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation countingAgonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm500771w
89493243 148065 0 None - 1 Human 8.0 pIC50 = 8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 4 0 7 4.9 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
CHEMBL3939146 148065 0 None - 1 Human 8.0 pIC50 = 8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 4 0 7 4.9 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
71549360 160042 0 None - 1 Human 8.0 pIC50 = 8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 429 4 0 6 4.8 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
CHEMBL4112776 160042 0 None - 1 Human 8.0 pIC50 = 8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 429 4 0 6 4.8 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
71549913 118351 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422007 118351 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
118735340 118333 0 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
CHEMBL3421982 118333 0 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
118735348 118340 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 385 3 0 6 3.6 Cc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)o1 10.1021/jm5017413
CHEMBL3421995 118340 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 385 3 0 6 3.6 Cc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)o1 10.1021/jm5017413
145864510 174567 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 CC1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
CHEMBL4569878 174567 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 CC1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
118735340 118333 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
CHEMBL3421982 118333 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
71549913 118351 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422007 118351 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
71549638 159620 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 415 3 0 6 4.6 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
CHEMBL4109230 159620 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 415 3 0 6 4.6 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
3245625 20244 10 None 7 2 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 397 4 0 5 4.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1306947 20244 10 None 7 2 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 397 4 0 5 4.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 10.1016/j.bmcl.2011.02.033
155512473 169094 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 C[C@@H]1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
CHEMBL4437427 169094 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 C[C@@H]1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
71549771 159282 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 405 3 0 7 4.2 Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL4106444 159282 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 405 3 0 7 4.2 Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
54584909 60341 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760335 60341 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54586802 60287 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 446 5 1 5 3.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760209 60287 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 446 5 1 5 3.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
20906619 60344 7 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 396 4 1 4 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760338 60344 7 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 396 4 1 4 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54583959 60345 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 5 1 4 3.7 COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760339 60345 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 5 1 4 3.7 COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54579949 60296 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 382 3 2 4 3.4 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2O)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760218 60296 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 382 3 2 4 3.4 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2O)CC1 10.1016/j.bmcl.2011.02.033
155540643 172365 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 C[C@H]1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
CHEMBL4516772 172365 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 C[C@H]1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
16035466 18571 1 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 367 5 1 3 5.2 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1021/jm1010012
CHEMBL1277892 18571 1 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 367 5 1 3 5.2 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1021/jm1010012
67450880 118350 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 419 3 0 6 4.4 C[C@@H]1c2nnc(-c3csc(-c4ccccc4)n3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
CHEMBL3422006 118350 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 419 3 0 6 4.4 C[C@@H]1c2nnc(-c3csc(-c4ccccc4)n3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
71533722 118355 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422010 118355 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
86274362 118349 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 357 2 0 6 3.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422005 118349 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 357 2 0 6 3.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)cs1 10.1021/jm5017413
53482949 118336 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 381 3 0 5 3.7 O=C(c1ccc(-c2ccccc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421989 118336 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 381 3 0 5 3.7 O=C(c1ccc(-c2ccccc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
67452845 118337 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 399 3 0 5 3.8 O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421990 118337 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 399 3 0 5 3.8 O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
53482947 118341 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 405 3 1 6 3.0 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421996 118341 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 405 3 1 6 3.0 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
71533722 118355 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
CHEMBL3422010 118355 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
2132 3687 48 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm1010012
5311424 3687 48 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm1010012
CHEMBL10188 3687 48 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm1010012
71549363 151160 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 419 4 0 7 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
CHEMBL3964222 151160 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 419 4 0 7 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
71549912 159438 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 409 3 0 5 4.5 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
CHEMBL4107668 159438 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 409 3 0 5 4.5 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
71549914 160231 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 417 3 1 7 4.0 C[C@@H]1c2nnc(-c3cccc(O)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
CHEMBL4114218 160231 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 417 3 1 7 4.0 C[C@@H]1c2nnc(-c3cccc(O)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
51351496 60284 7 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760205 60284 7 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
51351504 60285 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760206 60285 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
54584911 60349 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 394 4 1 3 4.3 CCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760349 60349 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 394 4 1 3 4.3 CCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54585869 60348 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 381 4 1 4 3.1 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccncc2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760342 60348 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 381 4 1 4 3.1 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccncc2)CC1 10.1016/j.bmcl.2011.02.033
118735353 118352 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 416 3 0 7 4.0 Cc1cncc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422008 118352 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 416 3 0 7 4.0 Cc1cncc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
53472113 118353 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422009 118353 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
54579946 60281 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](C)C1 10.1016/j.bmcl.2011.02.033
CHEMBL1760202 60281 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](C)C1 10.1016/j.bmcl.2011.02.033
90417914 118360 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
CHEMBL3422015 118360 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
71549769 118363 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422018 118363 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
71549498 148201 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 413 4 0 6 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)cs1 nan
CHEMBL3940252 148201 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 413 4 0 6 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)cs1 nan
54579948 60295 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 368 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760217 60295 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 368 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54583921 60291 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 430 4 1 4 4.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760213 60291 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 430 4 1 4 4.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54585832 60290 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 387 4 1 5 2.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C#N)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760212 60290 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 387 4 1 5 2.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C#N)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
71549768 160020 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)sc1C nan
CHEMBL4112613 160020 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)sc1C nan
8870164 60350 7 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 332 3 1 3 3.0 O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccccc2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760350 60350 7 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 332 3 1 3 3.0 O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccccc2)CC1 10.1016/j.bmcl.2011.02.033
2849628 97840 8 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to controlAntagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to control
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL274763 97840 8 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to controlAntagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to control
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
20906556 60343 6 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760337 60343 6 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
71549767 118362 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422017 118362 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
54582922 60289 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 440 5 1 6 2.5 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(S(C)(=O)=O)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760211 60289 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 440 5 1 6 2.5 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(S(C)(=O)=O)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
118735350 118346 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.4 Cc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)nc1 10.1021/jm5017413
CHEMBL3422001 118346 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.4 Cc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)nc1 10.1021/jm5017413
67452275 173586 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 5 3.8 C[C@@H]1c2nnc(-c3ccc4ccccc4n3)n2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
CHEMBL4546800 173586 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 5 3.8 C[C@@H]1c2nnc(-c3ccc4ccccc4n3)n2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
44291015 100757 1 None -128 4 Rat 5.6 pIC50 = 5.6 Functional
In vitro inhibitory activity against senktide-evoked increases in intracellular calcium levels in cloned human Tachykinin receptor 3 in CHO cell linesIn vitro inhibitory activity against senktide-evoked increases in intracellular calcium levels in cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
CHEMBL296014 100757 1 None -128 4 Rat 5.6 pIC50 = 5.6 Functional
In vitro inhibitory activity against senktide-evoked increases in intracellular calcium levels in cloned human Tachykinin receptor 3 in CHO cell linesIn vitro inhibitory activity against senktide-evoked increases in intracellular calcium levels in cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
16049828 2667 0 None 5 2 Human 7.6 pIC50 = 7.6 Functional
Activity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cells
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
2129 2667 0 None 5 2 Human 7.6 pIC50 = 7.6 Functional
Activity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cells
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL219162 2667 0 None 5 2 Human 7.6 pIC50 = 7.6 Functional
Activity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cells
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
71549218 159378 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 415 3 0 6 4.6 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
CHEMBL4107180 159378 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 415 3 0 6 4.6 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
54584865 60286 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 409 4 1 3 4.6 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]c2C)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760207 60286 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 409 4 1 3 4.6 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]c2C)CC1 10.1016/j.bmcl.2011.02.033
54580929 60282 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@H](C)C1 10.1016/j.bmcl.2011.02.033
CHEMBL1760203 60282 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@H](C)C1 10.1016/j.bmcl.2011.02.033
71549361 159833 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 433 4 0 7 5.0 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
CHEMBL4111118 159833 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 433 4 0 7 5.0 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
71549770 159886 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 450 4 0 8 4.9 CC(C)c1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL4111525 159886 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 450 4 0 8 4.9 CC(C)c1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
71549219 159971 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 4 0 7 4.9 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
CHEMBL4112270 159971 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 4 0 7 4.9 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
11989776 2664 0 None 13 2 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generationAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generation
ChEMBL 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 10.1016/j.bmcl.2006.08.085
2130 2664 0 None 13 2 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generationAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generation
ChEMBL 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221445 2664 0 None 13 2 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generationAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generation
ChEMBL 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 10.1016/j.bmcl.2006.08.085
118735355 118359 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 449 4 0 7 5.5 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422014 118359 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 449 4 0 7 5.5 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
90417914 118360 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
CHEMBL3422015 118360 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
71549769 118363 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422018 118363 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
16049828 2667 0 None 5 2 Human 7.5 pIC50 = 7.5 Functional
Activity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uMActivity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uM
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
2129 2667 0 None 5 2 Human 7.5 pIC50 = 7.5 Functional
Activity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uMActivity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uM
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL219162 2667 0 None 5 2 Human 7.5 pIC50 = 7.5 Functional
Activity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uMActivity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uM
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
71549634 159720 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)c(C)s1 nan
CHEMBL4110178 159720 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)c(C)s1 nan
54586801 60275 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1=O 10.1016/j.bmcl.2011.02.033
CHEMBL1760197 60275 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1=O 10.1016/j.bmcl.2011.02.033
54580930 60292 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760214 60292 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
53482945 118334 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421983 118334 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
71549767 118362 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422017 118362 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
71549639 149747 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 401 3 0 6 4.0 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)n1 nan
CHEMBL3952660 149747 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 401 3 0 6 4.0 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)n1 nan
54583958 60340 1 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 376 5 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760334 60340 1 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 376 5 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
71549500 159541 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 405 3 0 7 4.2 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
CHEMBL4108578 159541 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 405 3 0 7 4.2 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
71549911 159710 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 418 3 0 7 3.9 Cc1cc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n(C)n1 nan
CHEMBL4110064 159710 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 418 3 0 7 3.9 Cc1cc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n(C)n1 nan
54580975 60337 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 430 4 1 4 4.4 COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760331 60337 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 430 4 1 4 4.4 COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
19572770 60347 1 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 381 4 1 4 3.1 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2cccnc2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760341 60347 1 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 381 4 1 4 3.1 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2cccnc2)CC1 10.1016/j.bmcl.2011.02.033
20864936 60288 7 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 376 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760210 60288 7 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 376 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
71225056 118348 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 391 2 0 5 3.2 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(C(F)(F)F)n2)C1 10.1021/jm5017413
CHEMBL3422004 118348 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 391 2 0 5 3.2 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(C(F)(F)F)n2)C1 10.1021/jm5017413
118735345 118338 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 415 3 0 5 4.3 O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421991 118338 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 415 3 0 5 4.3 O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
53482945 118334 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421983 118334 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
145864512 174482 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 5 3.7 CC1c2nnn(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
CHEMBL4567857 174482 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 5 3.7 CC1c2nnn(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
54580928 60276 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 430 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760198 60276 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 430 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
71549502 145357 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 419 4 0 7 4.4 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)co1 nan
CHEMBL3917687 145357 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 419 4 0 7 4.4 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)co1 nan
54584864 60277 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 391 3 1 4 3.6 N#Cc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760199 60277 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 391 3 1 4 3.6 N#Cc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
8867347 60279 6 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 362 4 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760200 60279 6 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 362 4 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
71549358 144124 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 461 3 0 7 4.8 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2csc(C(F)(F)F)n2)C1 nan
CHEMBL3908229 144124 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 461 3 0 7 4.8 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2csc(C(F)(F)F)n2)C1 nan
67453320 118345 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.4 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/jm5017413
CHEMBL3422000 118345 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.4 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/jm5017413
90417750 118356 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@H]3C)cs1 10.1021/jm5017413
CHEMBL3422011 118356 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@H]3C)cs1 10.1021/jm5017413
31915241 60346 5 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 381 4 1 4 3.1 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccccn2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760340 60346 5 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 381 4 1 4 3.1 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccccn2)CC1 10.1016/j.bmcl.2011.02.033
71549772 160005 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 399 3 0 6 4.1 Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
CHEMBL4112541 160005 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 399 3 0 6 4.1 Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
71549499 160181 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 399 3 0 6 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)co1 nan
CHEMBL4113811 160181 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 399 3 0 6 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)co1 nan
54584910 60342 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(F)c3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760336 60342 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(F)c3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
2132 3687 48 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm1010012
5311424 3687 48 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm1010012
CHEMBL10188 3687 48 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm1010012
54582966 60338 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 490 6 1 4 5.4 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2OCc2cccc(F)c2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760332 60338 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 490 6 1 4 5.4 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2OCc2cccc(F)c2)CC1 10.1016/j.bmcl.2011.02.033
118735354 118358 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 475 3 0 7 5.4 C[C@@H]1c2nnc(-c3csc(C(F)(F)F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422013 118358 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 475 3 0 7 5.4 C[C@@H]1c2nnc(-c3csc(C(F)(F)F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
53482149 118339 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 387 3 0 6 3.7 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421994 118339 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 387 3 0 6 3.7 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
118735342 118335 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 323 2 0 5 2.1 O=C(c1cccc(F)c1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421985 118335 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 323 2 0 5 2.1 O=C(c1cccc(F)c1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
118735351 118347 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.4 Cc1ccnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)c1 10.1021/jm5017413
CHEMBL3422002 118347 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.4 Cc1ccnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)c1 10.1021/jm5017413
71549362 159606 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 427 4 0 6 4.9 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
CHEMBL4109138 159606 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 427 4 0 6 4.9 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
71549635 160327 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 450 4 0 8 4.4 C[C@@H]1c2nnc(-c3csc(N(C)C)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
CHEMBL4115030 160327 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 450 4 0 8 4.4 C[C@@H]1c2nnc(-c3csc(N(C)C)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
71549637 118361 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422016 118361 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
54582923 60293 7 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760215 60293 7 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
53087371 60294 5 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760216 60294 5 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54583920 60280 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 398 5 1 5 2.6 COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760201 60280 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 398 5 1 5 2.6 COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
118735349 118344 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 351 2 0 5 3.0 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3421999 118344 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 351 2 0 5 3.0 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/jm5017413
71549359 118357 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 10.1021/jm5017413
CHEMBL3422012 118357 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 10.1021/jm5017413
67453148 118343 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.7 C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
CHEMBL3421998 118343 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.7 C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
67455077 118342 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.7 C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
CHEMBL3421997 118342 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.7 C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
71549637 118361 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422016 118361 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
54586837 60339 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 439 6 2 5 2.6 NC(=O)COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760333 60339 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 439 6 2 5 2.6 NC(=O)COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
145864511 174067 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 CC1c2onc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
CHEMBL4558106 174067 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 CC1c2onc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
71549359 118357 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
CHEMBL3422012 118357 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
71549503 160003 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 431 4 0 7 4.8 C[C@@H]1c2nnc(-c3coc(C4CC4)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
CHEMBL4112531 160003 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 431 4 0 7 4.8 C[C@@H]1c2nnc(-c3coc(C4CC4)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
16035466 18571 1 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to controlAntagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to control
ChEMBL 367 5 1 3 5.2 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1021/jm1010012
CHEMBL1277892 18571 1 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to controlAntagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to control
ChEMBL 367 5 1 3 5.2 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1021/jm1010012
54579947 60283 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 424 4 1 4 4.5 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1(C)C 10.1016/j.bmcl.2011.02.033
CHEMBL1760204 60283 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 424 4 1 4 4.5 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1(C)C 10.1016/j.bmcl.2011.02.033
2849628 97840 8 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL274763 97840 8 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
9830361 181044 0 None - 0 Human 8.7 pKd = 8.7 Functional
Cellular functional antagonistic activity against NKB-induced [Ca2+] mobilization in HEK cells stably expressing the hNK-3 receptorCellular functional antagonistic activity against NKB-induced [Ca2+] mobilization in HEK cells stably expressing the hNK-3 receptor
ChEMBL 538 7 1 4 7.1 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
CHEMBL47739 181044 0 None - 0 Human 8.7 pKd = 8.7 Functional
Cellular functional antagonistic activity against NKB-induced [Ca2+] mobilization in HEK cells stably expressing the hNK-3 receptorCellular functional antagonistic activity against NKB-induced [Ca2+] mobilization in HEK cells stably expressing the hNK-3 receptor
ChEMBL 538 7 1 4 7.1 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
25221995 195176 0 None - 0 Guinea pig 8.0 pKd = 8.0 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
CHEMBL565894 195176 0 None - 0 Guinea pig 8.0 pKd = 8.0 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
10259370 106266 0 None - 0 Rat 7.0 pKd = 7 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 730 12 3 7 3.4 CC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 10.1021/jm00063a015
CHEMBL3144340 106266 0 None - 0 Rat 7.0 pKd = 7 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 730 12 3 7 3.4 CC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 10.1021/jm00063a015
44370713 50759 0 None - 0 Rat 5.0 pKd = 5 Functional
Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)
ChEMBL 653 13 4 7 3.2 CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)C(C)c1ccccc1)C(C)O 10.1021/jm960213s
CHEMBL157858 50759 0 None - 0 Rat 5.0 pKd = 5 Functional
Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)
ChEMBL 653 13 4 7 3.2 CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)C(C)c1ccccc1)C(C)O 10.1021/jm960213s
10350528 106251 0 None - 4 Rat 5.0 pKd = 5 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 831 18 4 9 4.2 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144210 106251 0 None - 4 Rat 5.0 pKd = 5 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 831 18 4 9 4.2 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
2132 3687 48 None - 1 Guinea pig 7.9 pKd = 7.9 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
5311424 3687 48 None - 1 Guinea pig 7.9 pKd = 7.9 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL10188 3687 48 None - 1 Guinea pig 7.9 pKd = 7.9 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
10395494 106272 0 None - 0 Rat 5.9 pKd = 5.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 788 12 3 8 4.5 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144349 106272 0 None - 0 Rat 5.9 pKd = 5.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 788 12 3 8 4.5 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
10395612 106265 0 None - 0 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 814 18 3 7 5.7 CCCCCCCC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 10.1021/jm00063a015
CHEMBL3144339 106265 0 None - 0 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 814 18 3 7 5.7 CCCCCCCC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 10.1021/jm00063a015
10349900 106267 0 None - 4 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 716 13 3 7 2.8 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144343 106267 0 None - 4 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 716 13 3 7 2.8 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
9832198 106273 0 None - 4 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 788 15 4 8 3.2 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(=O)O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144351 106273 0 None - 4 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 788 15 4 8 3.2 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(=O)O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
118718570 114867 0 None - 0 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 786 12 7 8 1.2 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O 10.1021/jm00053a001
CHEMBL3349798 114867 0 None - 0 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 786 12 7 8 1.2 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O 10.1021/jm00053a001
25222441 195465 0 None - 0 Guinea pig 7.8 pKd = 7.8 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567849 195465 0 None - 0 Guinea pig 7.8 pKd = 7.8 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
2132 3687 48 None - 1 Guinea pig 7.8 pKd = 7.8 Functional
Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
5311424 3687 48 None - 1 Guinea pig 7.8 pKd = 7.8 Functional
Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL10188 3687 48 None - 1 Guinea pig 7.8 pKd = 7.8 Functional
Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
10032981 106270 0 None - 0 Rat 6.8 pKd = 6.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 746 12 3 8 3.3 COC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 10.1021/jm00063a015
CHEMBL3144347 106270 0 None - 0 Rat 6.8 pKd = 6.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 746 12 3 8 3.3 COC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 10.1021/jm00063a015
44370530 48858 0 None - 0 Rat 5.8 pKd = 5.8 Functional
Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)
ChEMBL 639 13 4 7 2.6 CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O 10.1021/jm960213s
CHEMBL156186 48858 0 None - 0 Rat 5.8 pKd = 5.8 Functional
Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)
ChEMBL 639 13 4 7 2.6 CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O 10.1021/jm960213s
21121353 101003 0 None - 4 Rat 5.8 pKd = 5.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 625 14 4 7 2.0 CC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O 10.1021/jm00063a015
CHEMBL297776 101003 0 None - 4 Rat 5.8 pKd = 5.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 625 14 4 7 2.0 CC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O 10.1021/jm00063a015
10418001 106271 0 None - 0 Rat 5.8 pKd = 5.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 822 14 3 8 4.9 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCc2ccccc2)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144348 106271 0 None - 0 Rat 5.8 pKd = 5.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 822 14 3 8 4.9 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCc2ccccc2)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
10055415 106274 0 None - 4 Rat 5.8 pKd = 5.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 688 12 4 5 3.2 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144352 106274 0 None - 4 Rat 5.8 pKd = 5.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 688 12 4 5 3.2 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
44305816 162469 0 None - 0 Rat 4.8 pKd = 4.8 Functional
Antagonistic potency for NK-3 receptor was determined in vitro using isolated rat portal vein.Antagonistic potency for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 589 8 2 4 3.6 CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1C=[N+](C)c2ccccc21 10.1016/S0960-894X(96)00604-X
CHEMBL417572 162469 0 None - 0 Rat 4.8 pKd = 4.8 Functional
Antagonistic potency for NK-3 receptor was determined in vitro using isolated rat portal vein.Antagonistic potency for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 589 8 2 4 3.6 CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1C=[N+](C)c2ccccc21 10.1016/S0960-894X(96)00604-X
44550460 195361 0 None - 0 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567198 195361 0 None - 0 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
2110 2922 33 None 257 3 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 2922 33 None 257 3 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 2922 33 None 257 3 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 2922 33 None 257 3 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 2922 33 None 257 3 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
10325464 119629 0 None - 1 Rat 6.7 pKd = 6.7 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 559 11 2 5 4.2 COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1)C(C)=O 10.1021/jm950616c
CHEMBL351236 119629 0 None - 1 Rat 6.7 pKd = 6.7 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 559 11 2 5 4.2 COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1)C(C)=O 10.1021/jm950616c
10350454 106249 0 None - 4 Rat 5.7 pKd = 5.7 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 815 18 4 8 4.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144209 106249 0 None - 4 Rat 5.7 pKd = 5.7 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 815 18 4 8 4.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
118718517 114863 0 None - 0 Rat 5.7 pKd = 5.7 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 800 12 6 8 1.5 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O 10.1021/jm00053a001
CHEMBL3349688 114863 0 None - 0 Rat 5.7 pKd = 5.7 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 800 12 6 8 1.5 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O 10.1021/jm00053a001
3086681 2240 14 None - 1 Rat 4.7 pKd = 4.7 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 559 11 2 5 4.2 COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1 10.1021/jm950616c
3510 2240 14 None - 1 Rat 4.7 pKd = 4.7 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 559 11 2 5 4.2 COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1 10.1021/jm950616c
CHEMBL42407 2240 14 None - 1 Rat 4.7 pKd = 4.7 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 559 11 2 5 4.2 COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1 10.1021/jm950616c
44550460 195361 0 None - 0 Guinea pig 7.6 pKd = 7.6 Functional
Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567198 195361 0 None - 0 Guinea pig 7.6 pKd = 7.6 Functional
Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
104943 55099 34 None - 4 Rat 5.6 pKd = 5.6 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 412 7 1 3 5.1 COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 10.1021/jm950616c
CHEMBL16192 55099 34 None - 4 Rat 5.6 pKd = 5.6 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 412 7 1 3 5.1 COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 10.1021/jm950616c
118718516 114862 0 None - 0 Rat 5.6 pKd = 5.6 Functional
Tested antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 1599 27 12 16 2.8 CC(C)C[C@H]1C(=O)N[C@@H](CCSCCSCC[C@@H]2NC(=O)[C@H](CC(C)C)N3C=C[C@@H](NC(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(N)=O)NC2=O)C3=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]2C=CN1C2=O 10.1021/jm00053a001
CHEMBL3349687 114862 0 None - 0 Rat 5.6 pKd = 5.6 Functional
Tested antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 1599 27 12 16 2.8 CC(C)C[C@H]1C(=O)N[C@@H](CCSCCSCC[C@@H]2NC(=O)[C@H](CC(C)C)N3C=C[C@@H](NC(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(N)=O)NC2=O)C3=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]2C=CN1C2=O 10.1021/jm00053a001
44550460 195361 0 None - 0 Guinea pig 7.5 pKd = 7.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567198 195361 0 None - 0 Guinea pig 7.5 pKd = 7.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
2110 2922 33 None -257 3 Guinea pig 8.5 pKd = 8.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 2922 33 None -257 3 Guinea pig 8.5 pKd = 8.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 2922 33 None -257 3 Guinea pig 8.5 pKd = 8.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 2922 33 None -257 3 Guinea pig 8.5 pKd = 8.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 2922 33 None -257 3 Guinea pig 8.5 pKd = 8.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
118718415 114852 0 None - 0 Rat 5.4 pKd = 5.4 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 820 12 8 10 -0.5 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O 10.1021/jm00053a001
CHEMBL3349511 114852 0 None - 0 Rat 5.4 pKd = 5.4 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 820 12 8 10 -0.5 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O 10.1021/jm00053a001
2132 3687 48 None - 1 Human 8.2 pKd = 8.2 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
5311424 3687 48 None - 1 Human 8.2 pKd = 8.2 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL10188 3687 48 None - 1 Human 8.2 pKd = 8.2 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL439284 212083 18 None - 0 Rat 6.2 pKd = 6.2 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCN=C(N)N)C(N)=O 10.1021/jm00063a015
132837 2207 51 None - 4 Rat 5.2 pKd = 5.2 Functional
Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein.Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein.
ChEMBL 472 6 2 3 5.0 CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 10.1016/S0960-894X(96)00604-X
9461 2207 51 None - 4 Rat 5.2 pKd = 5.2 Functional
Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein.Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein.
ChEMBL 472 6 2 3 5.0 CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 10.1016/S0960-894X(96)00604-X
CHEMBL22870 2207 51 None - 4 Rat 5.2 pKd = 5.2 Functional
Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein.Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein.
ChEMBL 472 6 2 3 5.0 CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 10.1016/S0960-894X(96)00604-X
25222441 195465 0 None - 0 Human 8.1 pKd = 8.1 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567849 195465 0 None - 0 Human 8.1 pKd = 8.1 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
10439730 106275 0 None - 4 Rat 5.1 pKd = 5.1 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 702 12 3 6 3.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144353 106275 0 None - 4 Rat 5.1 pKd = 5.1 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 702 12 3 6 3.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3349620 209700 8 None - 0 Rat 5.1 pKd = 5.1 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin (mean +/-, n=4)Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin (mean +/-, n=4)
ChEMBL None None None CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm00053a001
25221995 195176 0 None - 0 Human 8.1 pKd = 8.1 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
CHEMBL565894 195176 0 None - 0 Human 8.1 pKd = 8.1 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
57403249 71165 0 None - 0 Human 9.0 pKi = 9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 625 6 1 4 6.3 Cc1cc(F)ccc1-c1cc(C2CN(C)C(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911968 71165 0 None - 0 Human 9.0 pKi = 9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 625 6 1 4 6.3 Cc1cc(F)ccc1-c1cc(C2CN(C)C(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1962728 71165 0 None - 0 Human 9.0 pKi = 9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 625 6 1 4 6.3 Cc1cc(F)ccc1-c1cc(C2CN(C)C(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57392804 67642 0 None - 0 Human 8.8 pKi = 8.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911965 67642 0 None - 0 Human 8.8 pKi = 8.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911967 67642 0 None - 0 Human 8.8 pKi = 8.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57398076 67644 0 None - 0 Human 8.7 pKi = 8.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911969 67644 0 None - 0 Human 8.7 pKi = 8.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57398076 67644 0 None - 0 Human 7.7 pKi = 7.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911969 67644 0 None - 0 Human 7.7 pKi = 7.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57398076 67644 0 None - 0 Human 7.6 pKi = 7.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911969 67644 0 None - 0 Human 7.6 pKi = 7.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57396275 67641 0 None - 0 Human 7.5 pKi = 7.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911964 67641 0 None - 0 Human 7.5 pKi = 7.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
52932923 67643 0 None - 0 Human 7.5 pKi = 7.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 581 5 1 3 6.8 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911966 67643 0 None - 0 Human 7.5 pKi = 7.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 581 5 1 3 6.8 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57396275 67641 0 None - 0 Human 7.4 pKi = 7.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911964 67641 0 None - 0 Human 7.4 pKi = 7.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57396275 67641 0 None - 0 Human 8.3 pKi = 8.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911964 67641 0 None - 0 Human 8.3 pKi = 8.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
52933155 67645 0 None - 0 Human 8.3 pKi = 8.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 641 7 3 5 5.5 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2(CO)CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911970 67645 0 None - 0 Human 8.3 pKi = 8.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 641 7 3 5 5.5 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2(CO)CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57396275 67641 0 None - 0 Human 6.3 pKi = 6.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911964 67641 0 None - 0 Human 6.3 pKi = 6.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
52933155 67645 0 None - 0 Human 8.2 pKi = 8.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 641 7 3 5 5.5 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2(CO)CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911970 67645 0 None - 0 Human 8.2 pKi = 8.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 641 7 3 5 5.5 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2(CO)CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
52933155 67645 0 None - 0 Human 6.2 pKi = 6.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 641 7 3 5 5.5 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2(CO)CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911970 67645 0 None - 0 Human 6.2 pKi = 6.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 641 7 3 5 5.5 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2(CO)CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57392804 67642 0 None - 0 Human 8.1 pKi = 8.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911965 67642 0 None - 0 Human 8.1 pKi = 8.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911967 67642 0 None - 0 Human 8.1 pKi = 8.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57392804 67642 0 None - 0 Human 7.1 pKi = 7.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911965 67642 0 None - 0 Human 7.1 pKi = 7.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911967 67642 0 None - 0 Human 7.1 pKi = 7.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57398076 67644 0 None - 0 Human 6.1 pKi = 6.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911969 67644 0 None - 0 Human 6.1 pKi = 6.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
5782 3812 0 None - 1 Rat 7.5 pA2 = 7.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2176308
10328936 1517 28 None -2 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
Drug Central None None None None None
2086 1517 28 None -2 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
Drug Central None None None None None
2955 1517 28 None -2 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
Drug Central None None None None None
CHEMBL373569 1517 28 None -2 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
Drug Central None None None None None
2089 2725 21 None -45 8 Human 7.4 pEC50 = 7.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
3795 2725 21 None -45 8 Human 7.4 pEC50 = 7.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
5311311 2725 21 None -45 8 Human 7.4 pEC50 = 7.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
CHEMBL217406 2725 21 None -45 8 Human 7.4 pEC50 = 7.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
108147 3526 29 None 1 4 Rat 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2426259
2127 3526 29 None 1 4 Rat 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2426259
CHEMBL106124 3526 29 None 1 4 Rat 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2426259
2090 2726 20 None -2 9 Human 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
2090 2726 20 None -2 9 Human 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2176308
5311312 2726 20 None -2 9 Human 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
5311312 2726 20 None -2 9 Human 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2176308
CHEMBL437797 2726 20 None -2 9 Human 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
CHEMBL437797 2726 20 None -2 9 Human 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2176308
2113 3045 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2176308
2113 3045 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 7476898
108147 3526 29 None -1 4 Guinea pig 9.3 pEC50 = 9.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2431898
2127 3526 29 None -1 4 Guinea pig 9.3 pEC50 = 9.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2431898
CHEMBL106124 3526 29 None -1 4 Guinea pig 9.3 pEC50 = 9.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2431898
190945 2979 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 553 16 4 6 4.7 OCCCCCCCCN[C@@](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C 7476898
5766 2979 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 553 16 4 6 4.7 OCCCCCCCCN[C@@](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C 7476898
10328936 1517 28 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
10328936 1517 28 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
2086 1517 28 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
2086 1517 28 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
2955 1517 28 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
2955 1517 28 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
CHEMBL373569 1517 28 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
CHEMBL373569 1517 28 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
104974 3419 27 None -5623 5 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 8117304
2111 3419 27 None -5623 5 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 8117304
3481 3419 27 None -5623 5 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 8117304
CHEMBL308148 3419 27 None -5623 5 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 8117304
DB06660 3419 27 None -5623 5 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 8117304
2088 2146 0 None -1 2 Human 6.9 pIC50 = 6.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
45749 2146 0 None -1 2 Human 6.9 pIC50 = 6.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
2131 3443 63 None 95 4 Human 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10992004
6604009 3443 63 None 95 4 Human 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10992004
CHEMBL10284 3443 63 None 95 4 Human 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10992004
2125 2981 2 None -2 5 Human 7.9 pIC50 = 7.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 8648606
2125 2981 2 None -2 5 Human 7.9 pIC50 = 7.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 8702757
5311350 2981 2 None -2 5 Human 7.9 pIC50 = 7.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 8648606
5311350 2981 2 None -2 5 Human 7.9 pIC50 = 7.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 8702757
CHEMBL444832 2981 2 None -2 5 Human 7.9 pIC50 = 7.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 8648606
CHEMBL444832 2981 2 None -2 5 Human 7.9 pIC50 = 7.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 8702757
2110 2922 33 None 257 3 Human 8.0 pIC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
219077 2922 33 None 257 3 Human 8.0 pIC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
3480 2922 33 None 257 3 Human 8.0 pIC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
CHEMBL346178 2922 33 None 257 3 Human 8.0 pIC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
DB04872 2922 33 None 257 3 Human 8.0 pIC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
10745164 2982 2 None - 1 Human 8.2 pIC50 = 8.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 546 15 4 4 5.1 NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C 8648606
5767 2982 2 None - 1 Human 8.2 pIC50 = 8.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 546 15 4 4 5.1 NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C 8648606
CHEMBL44229 2982 2 None - 1 Human 8.2 pIC50 = 8.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 546 15 4 4 5.1 NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C 8648606
2126 3144 0 None - 1 Human 6.5 pIC50 None 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
16049828 2667 0 None 5 2 Human 8.2 pIC50 None 8.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 16950620
2129 2667 0 None 5 2 Human 8.2 pIC50 None 8.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 16950620
CHEMBL219162 2667 0 None 5 2 Human 8.2 pIC50 None 8.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 16950620
11989776 2664 0 None 13 2 Human 8.4 pIC50 None 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 16950617
2130 2664 0 None 13 2 Human 8.4 pIC50 None 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 16950617
CHEMBL221445 2664 0 None 13 2 Human 8.4 pIC50 None 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 16950617


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Ligands Receptor Assay information Chemical information
Sel. page Common
name		 GPCRdb ID #Vendors Reference
ligand		 Fold selectivity
(Affinity)		 # tested GPCRs
(Affinity)		 Species p-value
(-log)		 Type Activity
Relation		 Activity
Value		 Assay Type Assay Description Source Mol
weight		 Rot
Bonds		 H don H acc LogP Smiles DOI
108147 3526 29 None 2 3 Rat 9.3 pEC50 = 9.3 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL None None None None 10.1021/jm960154i
2127 3526 29 None 2 3 Rat 9.3 pEC50 = 9.3 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL None None None None 10.1021/jm960154i
CHEMBL106124 3526 29 None 2 3 Rat 9.3 pEC50 = 9.3 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL None None None None 10.1021/jm960154i
118724968 115990 0 None - 0 Human 7.0 pEC50 = 7 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 840 26 9 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=N)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1021/jm500771w
CHEMBL3361408 115990 0 None - 0 Human 7.0 pEC50 = 7 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 840 26 9 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=N)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1021/jm500771w
44337560 109262 0 None - 0 Rat 6.0 pEC50 = 6 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL 950 19 9 10 0.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O 10.1021/jm960154i
CHEMBL323028 109262 0 None - 0 Rat 6.0 pEC50 = 6 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL 950 19 9 10 0.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O 10.1021/jm960154i
44337530 167334 0 None - 0 Rat 6.0 pEC50 = 6 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL 964 19 9 10 0.9 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O 10.1021/jm960154i
CHEMBL431243 167334 0 None - 0 Rat 6.0 pEC50 = 6 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL 964 19 9 10 0.9 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O 10.1021/jm960154i
108147 3526 29 None -2 3 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL None None None None 10.1021/jm500771w
2127 3526 29 None -2 3 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL None None None None 10.1021/jm500771w
CHEMBL106124 3526 29 None -2 3 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL None None None None 10.1021/jm500771w
108147 3526 29 None 2 3 Rat 7.9 pEC50 = 7.9 Binding
Agonist activity at rat NK3RAgonist activity at rat NK3R
ChEMBL None None None None 10.1021/jm500771w
2127 3526 29 None 2 3 Rat 7.9 pEC50 = 7.9 Binding
Agonist activity at rat NK3RAgonist activity at rat NK3R
ChEMBL None None None None 10.1021/jm500771w
CHEMBL106124 3526 29 None 2 3 Rat 7.9 pEC50 = 7.9 Binding
Agonist activity at rat NK3RAgonist activity at rat NK3R
ChEMBL None None None None 10.1021/jm500771w
118724964 115986 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 824 26 7 9 1.7 CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361404 115986 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 824 26 7 9 1.7 CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
118724964 115986 0 None - 0 Rat 7.7 pEC50 = 7.7 Binding
Agonist activity at rat NK3RAgonist activity at rat NK3R
ChEMBL 824 26 7 9 1.7 CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361404 115986 0 None - 0 Rat 7.7 pEC50 = 7.7 Binding
Agonist activity at rat NK3RAgonist activity at rat NK3R
ChEMBL 824 26 7 9 1.7 CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
118724966 115988 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 824 26 7 9 1.8 CSCC[C@H](NC(=O)/C(=C/CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361406 115988 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 824 26 7 9 1.8 CSCC[C@H](NC(=O)/C(=C/CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL106184 206728 0 None - 0 Rat 5.7 pEC50 = 5.7 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(CCCN)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(N)=O 10.1021/jm960154i
10843656 96374 0 None - 0 Rat 5.7 pEC50 = 5.7 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).
ChEMBL 1009 34 10 11 -0.1 CNC(=O)CCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1021/jm960154i
CHEMBL265115 96374 0 None - 0 Rat 5.7 pEC50 = 5.7 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).
ChEMBL 1009 34 10 11 -0.1 CNC(=O)CCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1021/jm960154i
118724967 115989 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 856 26 9 11 0.2 CSCC[C@H](NC(=O)[C@H](CC(C)C)N/C(CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)=N\O)C(N)=O 10.1021/jm500771w
CHEMBL3361407 115989 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 856 26 9 11 0.2 CSCC[C@H](NC(=O)[C@H](CC(C)C)N/C(CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)=N\O)C(N)=O 10.1021/jm500771w
118724965 115987 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 826 27 7 9 1.9 CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361405 115987 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 826 27 7 9 1.9 CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
2110 2922 33 None -3 6 Human 9.7 pIC50 = 9.7 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/0960-894X(95)00313-I
219077 2922 33 None -3 6 Human 9.7 pIC50 = 9.7 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/0960-894X(95)00313-I
3480 2922 33 None -3 6 Human 9.7 pIC50 = 9.7 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL346178 2922 33 None -3 6 Human 9.7 pIC50 = 9.7 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/0960-894X(95)00313-I
DB04872 2922 33 None -3 6 Human 9.7 pIC50 = 9.7 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/0960-894X(95)00313-I
127034749 135827 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3734811 135827 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
127034928 135999 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736361 135999 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
44418982 84139 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 635 7 1 7 5.3 COC(=O)N(NC(=O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL222078 84139 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 635 7 1 7 5.3 COC(=O)N(NC(=O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
9831641 79287 5 None - 0 Guinea pig 9.1 pIC50 = 9.1 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL2115415 79287 5 None - 0 Guinea pig 9.1 pIC50 = 9.1 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
2110 2922 33 None -3 6 Human 9.1 pIC50 = 9.1 Binding
Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptorsTachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/S0960-894X(97)00064-4
219077 2922 33 None -3 6 Human 9.1 pIC50 = 9.1 Binding
Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptorsTachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/S0960-894X(97)00064-4
3480 2922 33 None -3 6 Human 9.1 pIC50 = 9.1 Binding
Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptorsTachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/S0960-894X(97)00064-4
CHEMBL346178 2922 33 None -3 6 Human 9.1 pIC50 = 9.1 Binding
Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptorsTachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/S0960-894X(97)00064-4
DB04872 2922 33 None -3 6 Human 9.1 pIC50 = 9.1 Binding
Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptorsTachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/S0960-894X(97)00064-4
44419687 136425 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 6 1 4 6.4 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(c1ccccc1)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL374354 136425 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 6 1 4 6.4 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(c1ccccc1)c1ccccc1 10.1016/j.bmcl.2006.08.086
108147 3526 29 None -2 3 Human 9.0 pIC50 = 9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
2127 3526 29 None -2 3 Human 9.0 pIC50 = 9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL106124 3526 29 None -2 3 Human 9.0 pIC50 = 9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
10258592 98750 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 639 7 0 4 6.8 CS(=O)(=O)N1CC2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCCN(C(=O)c4ccccc4)C3)CC2)c2ccccc21 10.1016/s0960-894x(98)00215-7
CHEMBL281481 98750 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 639 7 0 4 6.8 CS(=O)(=O)N1CC2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCCN(C(=O)c4ccccc4)C3)CC2)c2ccccc21 10.1016/s0960-894x(98)00215-7
127034940 135959 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 841 25 8 10 -0.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736089 135959 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 841 25 8 10 -0.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
10393390 97825 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 576 8 0 3 7.6 CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 10.1016/s0960-894x(98)00215-7
CHEMBL27463 97825 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 576 8 0 3 7.6 CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 10.1016/s0960-894x(98)00215-7
CHEMBL2347361 207794 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347488 207796 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
44418984 136994 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 609 6 1 6 6.8 COC(=O)N(NC(=O)c1c(CN2CCN(C3(C)CCCCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL375419 136994 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 609 6 1 6 6.8 COC(=O)N(NC(=O)c1c(CN2CCN(C3(C)CCCCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
23649245 2959 22 None - 1 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
5775 2959 22 None - 1 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3545233 2959 22 None - 1 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
DB11692 2959 22 None - 1 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
44418981 136419 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 585 7 1 6 6.1 COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL374307 136419 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 585 7 1 6 6.1 COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL2347496 207803 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347362 207795 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44418980 83852 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 595 6 1 7 5.8 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCSCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221238 83852 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 595 6 1 7 5.8 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCSCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
2090 2726 20 None 1 4 Human 8.0 pIC50 = 8 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL None None None None 10.1016/0960-894X(95)00313-I
5311312 2726 20 None 1 4 Human 8.0 pIC50 = 8 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL None None None None 10.1016/0960-894X(95)00313-I
CHEMBL437797 2726 20 None 1 4 Human 8.0 pIC50 = 8 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL None None None None 10.1016/0960-894X(95)00313-I
127035106 135844 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 800 23 9 10 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NO)C(N)=O 10.1039/C4MD00514G
CHEMBL3734921 135844 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 800 23 9 10 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NO)C(N)=O 10.1039/C4MD00514G
2090 2726 20 None 1 4 Human 8.0 pIC50 = 8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL None None None None 10.1016/S0960-894X(00)80360-1
5311312 2726 20 None 1 4 Human 8.0 pIC50 = 8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL None None None None 10.1016/S0960-894X(00)80360-1
CHEMBL437797 2726 20 None 1 4 Human 8.0 pIC50 = 8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL None None None None 10.1016/S0960-894X(00)80360-1
11618471 136191 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 412 3 2 5 4.4 COC(=O)N(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL374067 136191 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 412 3 2 5 4.4 COC(=O)N(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
2090 2726 20 None - 4 Guinea pig 8.0 pIC50 = 8 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
5311312 2726 20 None - 4 Guinea pig 8.0 pIC50 = 8 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
CHEMBL437797 2726 20 None - 4 Guinea pig 8.0 pIC50 = 8 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
CHEMBL436706 211938 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
3040489 44310 1 None - 0 Guinea pig 5.0 pIC50 = 5 Binding
Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 5.8-14u MBinding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 5.8-14u M
ChEMBL 318 4 1 2 3.8 O=C1CCN(Cc2ccccc2)CC1Cc1c[nH]c2ccccc12 10.1016/0960-894X(94)80030-8
CHEMBL151990 44310 1 None - 0 Guinea pig 5.0 pIC50 = 5 Binding
Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 5.8-14u MBinding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 5.8-14u M
ChEMBL 318 4 1 2 3.8 O=C1CCN(Cc2ccccc2)CC1Cc1c[nH]c2ccccc12 10.1016/0960-894X(94)80030-8
44288758 100642 0 None - 0 Human 5.0 pIC50 = 5 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 463 6 1 3 5.9 Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3cnc4ccccc4c3)C[C@H]2Cc2ccccc2)c1 10.1016/0960-894X(96)00287-9
CHEMBL295122 100642 0 None - 0 Human 5.0 pIC50 = 5 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 463 6 1 3 5.9 Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3cnc4ccccc4c3)C[C@H]2Cc2ccccc2)c1 10.1016/0960-894X(96)00287-9
44291442 100633 0 None - 0 Human 5.0 pIC50 = 5 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL295041 100633 0 None - 0 Human 5.0 pIC50 = 5 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
44346117 14722 0 None - 0 Human 5.0 pIC50 = 5 Binding
Tested for binding affinity of compound against [125I][MePhe]-NKB binding to Tachykinin receptor 3 in stably expressed CHO cellsTested for binding affinity of compound against [125I][MePhe]-NKB binding to Tachykinin receptor 3 in stably expressed CHO cells
ChEMBL 493 6 1 4 6.1 O=C(NCc1cn(C(=O)OCc2ccccc2)c2ccccc12)N1C2CCC(C2)C1Cc1ccccc1 10.1016/S0960-894X(96)00570-7
CHEMBL120790 14722 0 None - 0 Human 5.0 pIC50 = 5 Binding
Tested for binding affinity of compound against [125I][MePhe]-NKB binding to Tachykinin receptor 3 in stably expressed CHO cellsTested for binding affinity of compound against [125I][MePhe]-NKB binding to Tachykinin receptor 3 in stably expressed CHO cells
ChEMBL 493 6 1 4 6.1 O=C(NCc1cn(C(=O)OCc2ccccc2)c2ccccc12)N1C2CCC(C2)C1Cc1ccccc1 10.1016/S0960-894X(96)00570-7
44291084 100950 0 None - 0 Human 7.0 pIC50 = 7 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 567 17 3 5 5.3 COCCCCCCCCNC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
CHEMBL297399 100950 0 None - 0 Human 7.0 pIC50 = 7 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 567 17 3 5 5.3 COCCCCCCCCNC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
44291545 182374 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 567 17 3 5 5.3 COCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)[C@](C)(Cc1ccccc1)NC(=O)OC(C)(C)C 10.1016/S0960-894X(00)80360-1
CHEMBL47929 182374 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 567 17 3 5 5.3 COCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)[C@](C)(Cc1ccccc1)NC(=O)OC(C)(C)C 10.1016/S0960-894X(00)80360-1
102531123 135979 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 793 25 8 10 -0.6 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736227 135979 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 793 25 8 10 -0.6 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
10769339 183021 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 567 17 4 5 5.1 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCCCO 10.1021/jm950892r
CHEMBL48020 183021 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 567 17 4 5 5.1 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCCCO 10.1021/jm950892r
11800009 168188 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 515 10 3 4 4.6 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCc1ccccc1 10.1021/jm950892r
CHEMBL43720 168188 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 515 10 3 4 4.6 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCc1ccccc1 10.1021/jm950892r
CHEMBL2347512 207819 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44419722 137065 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2cccc(F)c12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL375538 137065 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2cccc(F)c12)c1ccccc1 10.1016/j.bmcl.2006.08.086
11605470 141186 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 484 7 1 6 4.8 COC(=O)N(NC(=O)c1c(OCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL385738 141186 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 484 7 1 6 4.8 COC(=O)N(NC(=O)c1c(OCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
108147 3526 29 None 2 3 Rat 8.0 pIC50 = 8.0 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
2127 3526 29 None 2 3 Rat 8.0 pIC50 = 8.0 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
CHEMBL106124 3526 29 None 2 3 Rat 8.0 pIC50 = 8.0 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
71461705 79208 0 None - 0 Guinea pig 8.0 pIC50 = 8.0 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL2114963 79208 0 None - 0 Guinea pig 8.0 pIC50 = 8.0 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
66826327 125847 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 431 6 3 5 4.6 CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
CHEMBL3650414 125847 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 431 6 3 5 4.6 CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
CHEMBL2115376 207523 0 None - 0 Rat 7.0 pIC50 = 7.0 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@H]1CCc2ccccc21)C(N)=O 10.1021/jm00037a009
44419717 83890 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221493 83890 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
86275206 160191 0 None - 1 Human 7.0 pIC50 = 7.0 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 354 2 0 7 2.6 Cc1ccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)cc1 nan
CHEMBL4113908 160191 0 None - 1 Human 7.0 pIC50 = 7.0 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 354 2 0 7 2.6 Cc1ccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)cc1 nan
86275212 160346 0 None - 1 Human 7.0 pIC50 = 7.0 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 388 3 0 8 2.5 COc1cc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)ccc1F nan
CHEMBL4115179 160346 0 None - 1 Human 7.0 pIC50 = 7.0 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 388 3 0 8 2.5 COc1cc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)ccc1F nan
73265454 125927 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 646 5 1 4 6.3 COC(=O)N[C@H]1CC[C@H](C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1 nan
CHEMBL3651893 125927 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 646 5 1 4 6.3 COC(=O)N[C@H]1CC[C@H](C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1 nan
118724967 115989 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 856 26 9 11 0.2 CSCC[C@H](NC(=O)[C@H](CC(C)C)N/C(CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)=N\O)C(N)=O 10.1021/jm500771w
CHEMBL3361407 115989 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 856 26 9 11 0.2 CSCC[C@H](NC(=O)[C@H](CC(C)C)N/C(CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)=N\O)C(N)=O 10.1021/jm500771w
10602517 100787 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 539 15 4 5 4.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCO 10.1021/jm950892r
CHEMBL296210 100787 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 539 15 4 5 4.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCO 10.1021/jm950892r
73350299 89065 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 746 21 7 8 1.8 CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O 10.1021/jm950892r
CHEMBL2372739 89065 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 746 21 7 8 1.8 CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O 10.1021/jm950892r
CHEMBL311405 209353 15 None - 0 Guinea pig 6.0 pIC50 = 6.0 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O 10.1016/0960-894X(94)85022-4
CHEMBL265573 208909 0 None - 0 Rat 4.9 pIC50 = 4.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C(=C\c1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O 10.1021/jm00037a009
10698860 100834 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 602 14 4 6 3.5 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCc1ccccc1OCC(N)=O 10.1021/jm950892r
CHEMBL296524 100834 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 602 14 4 6 3.5 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCc1ccccc1OCC(N)=O 10.1021/jm950892r
CHEMBL583102 214004 5 None 5248 2 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm500771w
44419014 82754 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 580 6 1 7 5.8 COC(=O)N(NC(=O)c1c(OC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL218321 82754 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 580 6 1 7 5.8 COC(=O)N(NC(=O)c1c(OC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
86274488 160170 0 None 1584 2 Human 7.9 pIC50 = 7.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL4113741 160170 0 None 1584 2 Human 7.9 pIC50 = 7.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
108147 3526 29 None - 3 Guinea pig 7.9 pIC50 = 7.9 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]
ChEMBL None None None None 10.1021/jm950892r
2127 3526 29 None - 3 Guinea pig 7.9 pIC50 = 7.9 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]
ChEMBL None None None None 10.1021/jm950892r
CHEMBL106124 3526 29 None - 3 Guinea pig 7.9 pIC50 = 7.9 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]
ChEMBL None None None None 10.1021/jm950892r
73265457 125930 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 653 4 0 4 4.5 CN(C(=O)N(C)[C@@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 nan
CHEMBL3651896 125930 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 653 4 0 4 4.5 CN(C(=O)N(C)[C@@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 nan
86275683 145546 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)C3C)n1 nan
CHEMBL3919172 145546 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)C3C)n1 nan
86275211 159725 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 386 4 0 7 3.2 CCC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4110242 159725 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 386 4 0 7 3.2 CCC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
44294476 185626 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 497 9 3 3 6.5 CC(NC(=O)[C@@](C)(Cc1cc2ccccc2[nH]1)NC(=O)OC(c1ccccc1)C(C)C)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL48731 185626 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 497 9 3 3 6.5 CC(NC(=O)[C@@](C)(Cc1cc2ccccc2[nH]1)NC(=O)OC(c1ccccc1)C(C)C)c1ccccc1 10.1016/0960-894X(95)00313-I
10577242 100854 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 497 9 3 3 6.5 CC(C)C(OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 10.1021/jm950892r
CHEMBL296676 100854 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 497 9 3 3 6.5 CC(C)C(OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 10.1021/jm950892r
CHEMBL265155 208893 0 None - 0 Rat 5.9 pIC50 = 5.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1021/jm00037a009
127035706 135841 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 880 26 9 10 0.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3734892 135841 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 880 26 9 10 0.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
2098 3638 31 None -5248 6 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
36511 3638 31 None -5248 6 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
3805 3638 31 None -5248 6 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
3835 3638 31 None -5248 6 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL235363 3638 31 None -5248 6 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
122187068 122473 0 None - 1 Human 5.9 pIC50 = 5.9 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 344 2 0 7 2.2 C[C@@H]1c2nnc(-c3ncns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3608685 122473 0 None - 1 Human 5.9 pIC50 = 5.9 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 344 2 0 7 2.2 C[C@@H]1c2nnc(-c3ncns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
44276792 98674 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 604 8 1 4 6.5 O=C1CCC(CCCN2CCC3(CC2)CN(c2ccccc2)NC3=O)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 10.1016/s0960-894x(98)00215-7
CHEMBL281019 98674 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 604 8 1 4 6.5 O=C1CCC(CCCN2CCC3(CC2)CN(c2ccccc2)NC3=O)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 10.1016/s0960-894x(98)00215-7
CHEMBL2347498 207805 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347508 207815 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3735159 210432 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
2098 3638 31 None - 6 Rat 6.9 pIC50 = 6.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None None 10.1021/jm00037a009
36511 3638 31 None - 6 Rat 6.9 pIC50 = 6.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None None 10.1021/jm00037a009
3805 3638 31 None - 6 Rat 6.9 pIC50 = 6.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None None 10.1021/jm00037a009
3835 3638 31 None - 6 Rat 6.9 pIC50 = 6.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None None 10.1021/jm00037a009
CHEMBL235363 3638 31 None - 6 Rat 6.9 pIC50 = 6.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None None 10.1021/jm00037a009
86272101 148459 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3942295 148459 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
86275209 160018 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.9 CC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4112608 160018 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.9 CC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
118724966 115988 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 824 26 7 9 1.8 CSCC[C@H](NC(=O)/C(=C/CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361406 115988 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 824 26 7 9 1.8 CSCC[C@H](NC(=O)/C(=C/CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
86272104 160059 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(C(C)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4112928 160059 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(C(C)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
9914897 178480 0 None - 0 Guinea pig 7.9 pIC50 = 7.9 Binding
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I]-[MePhe7]-Neurokinin B as radioligandCompound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I]-[MePhe7]-Neurokinin B as radioligand
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL47146 178480 0 None - 0 Guinea pig 7.9 pIC50 = 7.9 Binding
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I]-[MePhe7]-Neurokinin B as radioligandCompound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I]-[MePhe7]-Neurokinin B as radioligand
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
9914897 178480 0 None - 0 Guinea pig 7.9 pIC50 = 7.9 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL47146 178480 0 None - 0 Guinea pig 7.9 pIC50 = 7.9 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
73265451 125923 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 666 4 0 3 6.8 CC(=O)N1CCC(C(=O)N2CC(c3ccc(Cl)c(Cl)c3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 nan
CHEMBL3651889 125923 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 666 4 0 3 6.8 CC(=O)N1CCC(C(=O)N2CC(c3ccc(Cl)c(Cl)c3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 nan
73265450 125921 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 680 4 0 3 7.2 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 nan
CHEMBL3651887 125921 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 680 4 0 3 7.2 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 nan
66826687 125849 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 437 6 3 6 4.7 CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O nan
CHEMBL3650416 125849 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 437 6 3 6 4.7 CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O nan
10745164 2982 2 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 546 15 4 4 5.1 NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C 10.1021/jm950892r
5767 2982 2 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 546 15 4 4 5.1 NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C 10.1021/jm950892r
CHEMBL44229 2982 2 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 546 15 4 4 5.1 NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C 10.1021/jm950892r
129625879 144051 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3907662 144051 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
44290618 181200 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL47778 181200 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(N)=O 10.1021/jm950892r
44291515 100669 0 None - 0 Guinea pig 7.8 pIC50 = 7.8 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 580 17 4 5 4.6 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL295301 100669 0 None - 0 Guinea pig 7.8 pIC50 = 7.8 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 580 17 4 5 4.6 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O 10.1016/S0960-894X(00)80360-1
2131 3443 63 None 34 2 Human 7.8 pIC50 = 7.8 Binding
Displacement of radiolabeled SB 222200 from human NK3 receptorDisplacement of radiolabeled SB 222200 from human NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm8007618
6604009 3443 63 None 34 2 Human 7.8 pIC50 = 7.8 Binding
Displacement of radiolabeled SB 222200 from human NK3 receptorDisplacement of radiolabeled SB 222200 from human NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm8007618
CHEMBL10284 3443 63 None 34 2 Human 7.8 pIC50 = 7.8 Binding
Displacement of radiolabeled SB 222200 from human NK3 receptorDisplacement of radiolabeled SB 222200 from human NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm8007618
71533722 118355 0 None 1 5 Human 7.8 pIC50 = 7.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/acsmedchemlett.5b00117
CHEMBL3422010 118355 0 None 1 5 Human 7.8 pIC50 = 7.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/acsmedchemlett.5b00117
135449286 192586 2 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]-labeled SP from the human Tachykinin receptor 3 expressed in CHO cellsDisplacement of [125I]-labeled SP from the human Tachykinin receptor 3 expressed in CHO cells
ChEMBL 502 6 2 5 4.3 O=c1[nH]nc(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1 10.1021/jm950654w
CHEMBL52330 192586 2 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]-labeled SP from the human Tachykinin receptor 3 expressed in CHO cellsDisplacement of [125I]-labeled SP from the human Tachykinin receptor 3 expressed in CHO cells
ChEMBL 502 6 2 5 4.3 O=c1[nH]nc(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1 10.1021/jm950654w
86275208 159659 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 408 2 0 7 3.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]3C)n1 nan
CHEMBL4109584 159659 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 408 2 0 7 3.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]3C)n1 nan
7033529 116073 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00313-I
CHEMBL33650 116073 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00313-I
CHEMBL2372516 208520 0 None - 0 Rat 4.8 pIC50 = 4.8 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1c2ccccc2-c2ccccc21)C(N)=O 10.1021/jm00037a009
10836148 159035 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL410291 159035 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(N)=O 10.1021/jm950892r
44291441 176264 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL46113 176264 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
127049297 140064 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 412 6 2 4 5.5 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2OC)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3813742 140064 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 412 6 2 4 5.5 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2OC)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
127052434 140134 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 518 9 1 4 8.1 CC[C@H](NC(=O)c1c(SCc2ccc(OC)cc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3814967 140134 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 518 9 1 4 8.1 CC[C@H](NC(=O)c1c(SCc2ccc(OC)cc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
7033529 116073 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL33650 116073 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL2370372 208094 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1)C(N)=O 10.1016/j.bmc.2013.01.036
7033529 116073 4 None - 0 Guinea pig 5.8 pIC50 = 5.8 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00582-E
CHEMBL33650 116073 4 None - 0 Guinea pig 5.8 pIC50 = 5.8 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00582-E
7033529 116073 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Tested for binding affinity for human NK3 receptor expressed in CHO cells by using [125I][MePhe]-NKB as radioligand,Tested for binding affinity for human NK3 receptor expressed in CHO cells by using [125I][MePhe]-NKB as radioligand,
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL33650 116073 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Tested for binding affinity for human NK3 receptor expressed in CHO cells by using [125I][MePhe]-NKB as radioligand,Tested for binding affinity for human NK3 receptor expressed in CHO cells by using [125I][MePhe]-NKB as radioligand,
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
86275449 122470 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608682 122470 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
81689815 122472 0 None 20 2 Human 6.8 pIC50 = 6.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 344 2 0 7 1.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608684 122472 0 None 20 2 Human 6.8 pIC50 = 6.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 344 2 0 7 1.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/acsmedchemlett.5b00117
122187066 122469 0 None - 1 Human 4.8 pIC50 = 4.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 358 2 0 7 2.5 Cc1nnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)s1 10.1021/acsmedchemlett.5b00117
CHEMBL3608681 122469 0 None - 1 Human 4.8 pIC50 = 4.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 358 2 0 7 2.5 Cc1nnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)s1 10.1021/acsmedchemlett.5b00117
9914897 178480 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL47146 178480 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
2125 2981 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/0960-894X(95)00313-I
5311350 2981 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/0960-894X(95)00313-I
CHEMBL444832 2981 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/0960-894X(95)00313-I
125111645 135972 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 841 26 8 10 -0.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736185 135972 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 841 26 8 10 -0.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
2125 2981 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/S0960-894X(00)80360-1
5311350 2981 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/S0960-894X(00)80360-1
CHEMBL444832 2981 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/S0960-894X(00)80360-1
10340761 83845 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 397 6 1 4 5.1 CCN(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221197 83845 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 397 6 1 4 5.1 CCN(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
86274487 159542 0 None 691 3 Human 7.8 pIC50 = 7.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3C)n1 nan
CHEMBL4108583 159542 0 None 691 3 Human 7.8 pIC50 = 7.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3C)n1 nan
2125 2981 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
5311350 2981 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
CHEMBL444832 2981 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
9914897 178480 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL47146 178480 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
44419059 83828 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 494 5 1 5 5.8 COC(=O)N(NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221077 83828 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 494 5 1 5 5.8 COC(=O)N(NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
86275449 122470 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL3608682 122470 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
7033529 116073 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00254-Q
CHEMBL33650 116073 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00254-Q
CHEMBL2372519 208523 0 None - 0 Rat 5.8 pIC50 = 5.8 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1CCc2cc3ccccc3cc21)C(N)=O 10.1021/jm00037a009
7033529 116073 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/S0960-894X(01)80821-0
CHEMBL33650 116073 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/S0960-894X(01)80821-0
10650463 100929 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 557 13 3 4 5.4 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCc1ccccc1 10.1021/jm950892r
CHEMBL297252 100929 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 557 13 3 4 5.4 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCc1ccccc1 10.1021/jm950892r
10460302 167241 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
CHEMBL430576 167241 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
44291546 101064 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
CHEMBL298252 101064 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
CHEMBL2347661 207825 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
44419062 136438 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 509 5 1 6 4.6 COC(=O)N(NC(=O)c1c(CN2CCN(C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL374438 136438 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 509 5 1 6 4.6 COC(=O)N(NC(=O)c1c(CN2CCN(C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
44418998 165679 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 552 5 1 6 6.5 COC(=O)N(NC(=O)c1c(OC2CCN(C(C)(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL426714 165679 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 552 5 1 6 6.5 COC(=O)N(NC(=O)c1c(OC2CCN(C(C)(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
44290659 101063 0 None - 0 Guinea pig 7.8 pIC50 = 7.8 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 654 8 1 7 5.7 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[C@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL298247 101063 0 None - 0 Guinea pig 7.8 pIC50 = 7.8 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 654 8 1 7 5.7 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[C@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL405422 210814 0 None - 0 Rat 6.8 pIC50 = 6.8 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)SC)C(N)=O 10.1021/jm00037a009
86274960 143994 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3CCO)n1 nan
CHEMBL3907155 143994 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3CCO)n1 nan
86275450 159361 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 365 2 0 8 2.2 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C#N)cc2)[C@@H]3C)n1 nan
CHEMBL4107016 159361 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 365 2 0 8 2.2 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C#N)cc2)[C@@H]3C)n1 nan
CHEMBL406442 210861 0 None - 0 Rat 4.8 pIC50 = 4.8 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O 10.1021/jm00037a009
2125 2981 2 None - 1 Rat 5.8 pIC50 = 5.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
5311350 2981 2 None - 1 Rat 5.8 pIC50 = 5.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
CHEMBL444832 2981 2 None - 1 Rat 5.8 pIC50 = 5.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
CHEMBL3736313 210438 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1039/C4MD00514G
90663905 106268 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 487 11 5 3 3.3 CC(C)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 10.1021/jm950892r
CHEMBL3144344 106268 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 487 11 5 3 3.3 CC(C)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 10.1021/jm950892r
44290762 181550 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 594 17 4 5 4.8 CNC(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
CHEMBL47822 181550 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 594 17 4 5 4.8 CNC(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
CHEMBL2347492 207799 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
10422 1604 28 None 8 2 Human 7.8 pIC50 = 7.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
117604931 1604 28 None 8 2 Human 7.8 pIC50 = 7.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
CHEMBL3608680 1604 28 None 8 2 Human 7.8 pIC50 = 7.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
DB15669 1604 28 None 8 2 Human 7.8 pIC50 = 7.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
CHEMBL2114443 207511 0 None - 0 Rat 6.8 pIC50 = 6.8 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@@H]1CCc2ccccc21)C(N)=O 10.1021/jm00037a009
10646059 100873 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL296858 100873 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL2369767 207939 0 None - 0 Guinea pig 5.7 pIC50 = 5.7 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL None None None C/C=C/CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/0960-894X(94)85022-4
15485361 96781 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 576 9 0 3 7.5 CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 10.1016/s0960-894x(98)00215-7
CHEMBL26860 96781 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 576 9 0 3 7.5 CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 10.1016/s0960-894x(98)00215-7
CHEMBL2347659 207823 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
86274490 159339 0 None 1000 3 Human 7.7 pIC50 = 7.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]3C)n1 nan
CHEMBL4106866 159339 0 None 1000 3 Human 7.7 pIC50 = 7.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]3C)n1 nan
10422 1604 28 None 8 2 Human 7.7 pIC50 = 7.7 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
117604931 1604 28 None 8 2 Human 7.7 pIC50 = 7.7 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
CHEMBL3608680 1604 28 None 8 2 Human 7.7 pIC50 = 7.7 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
DB15669 1604 28 None 8 2 Human 7.7 pIC50 = 7.7 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
53472113 118353 0 None 1 5 Human 7.7 pIC50 = 7.7 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3422009 118353 0 None 1 5 Human 7.7 pIC50 = 7.7 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL276294 209083 0 None - 0 Rat 6.7 pIC50 = 6.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)S(C)(=O)=O)C(N)=O 10.1021/jm00037a009
44419703 137175 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 469 6 1 5 5.9 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C(=O)OCC(C)C)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL375879 137175 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 469 6 1 5 5.9 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C(=O)OCC(C)C)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL2372444 208500 0 None - 0 Rat 5.7 pIC50 = 5.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O 10.1021/jm00037a009
CHEMBL411230 211127 0 None - 0 Rat 5.7 pIC50 = 5.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O 10.1021/jm00037a009
51000511 125846 0 None - 0 Human 4.7 pIC50 = 4.7 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 431 6 3 5 4.6 CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
CHEMBL3650413 125846 0 None - 0 Human 4.7 pIC50 = 4.7 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 431 6 3 5 4.6 CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
118724965 115987 0 None - 0 Human 4.7 pIC50 = 4.7 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 826 27 7 9 1.9 CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361405 115987 0 None - 0 Human 4.7 pIC50 = 4.7 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 826 27 7 9 1.9 CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL2347500 207807 6 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(N)=O 10.1016/j.bmc.2013.01.036
44418978 83851 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 577 6 1 6 6.3 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221237 83851 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 577 6 1 6 6.3 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
2090 2726 20 None - 4 Guinea pig 8.7 pIC50 = 8.7 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
5311312 2726 20 None - 4 Guinea pig 8.7 pIC50 = 8.7 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
CHEMBL437797 2726 20 None - 4 Guinea pig 8.7 pIC50 = 8.7 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
2132 3687 48 None 1 6 Human 8.6 pIC50 = 8.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
5311424 3687 48 None 1 6 Human 8.6 pIC50 = 8.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL10188 3687 48 None 1 6 Human 8.6 pIC50 = 8.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL2347511 207818 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44276738 96742 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 560 6 0 2 7.9 O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 10.1016/s0960-894x(98)00215-7
CHEMBL26831 96742 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 560 6 0 2 7.9 O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 10.1016/s0960-894x(98)00215-7
11498370 100707 0 None - 0 Guinea pig 8.6 pIC50 = 8.6 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 654 8 1 7 5.7 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[C@@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL295615 100707 0 None - 0 Guinea pig 8.6 pIC50 = 8.6 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 654 8 1 7 5.7 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[C@@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL2372525 208525 0 None - 0 Rat 4.7 pIC50 = 4.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O 10.1021/jm00037a009
86272105 160150 0 None - 1 Human 6.7 pIC50 = 6.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 410 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(CC(F)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4113569 160150 0 None - 1 Human 6.7 pIC50 = 6.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 410 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(CC(F)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
104974 3419 27 None - 7 Guinea pig 6.7 pIC50 = 6.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 10.1016/0960-894X(96)00148-5
2111 3419 27 None - 7 Guinea pig 6.7 pIC50 = 6.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 10.1016/0960-894X(96)00148-5
3481 3419 27 None - 7 Guinea pig 6.7 pIC50 = 6.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 10.1016/0960-894X(96)00148-5
CHEMBL308148 3419 27 None - 7 Guinea pig 6.7 pIC50 = 6.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 10.1016/0960-894X(96)00148-5
DB06660 3419 27 None - 7 Guinea pig 6.7 pIC50 = 6.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 10.1016/0960-894X(96)00148-5
10072464 109258 0 None - 1 Human 5.7 pIC50 = 5.7 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 450 8 4 4 2.8 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL32301 109258 0 None - 1 Human 5.7 pIC50 = 5.7 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 450 8 4 4 2.8 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1021/jm950892r
108147 3526 29 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL None None None None 10.1016/0960-894X(95)00313-I
2127 3526 29 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL None None None None 10.1016/0960-894X(95)00313-I
CHEMBL106124 3526 29 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL None None None None 10.1016/0960-894X(95)00313-I
108147 3526 29 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL None None None None 10.1016/S0960-894X(00)80360-1
2127 3526 29 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL None None None None 10.1016/S0960-894X(00)80360-1
CHEMBL106124 3526 29 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL None None None None 10.1016/S0960-894X(00)80360-1
86274730 159946 0 None - 1 Human 7.7 pIC50 = 7.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)[C@@H]3C)n1 nan
CHEMBL4112037 159946 0 None - 1 Human 7.7 pIC50 = 7.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)[C@@H]3C)n1 nan
153996 112171 2 None - 3 Guinea pig 7.7 pIC50 = 7.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 639 10 1 6 5.7 COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/0960-894X(96)00148-5
CHEMBL330366 112171 2 None - 3 Guinea pig 7.7 pIC50 = 7.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 639 10 1 6 5.7 COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/0960-894X(96)00148-5
CHEMBL539021 112171 2 None - 3 Guinea pig 7.7 pIC50 = 7.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 639 10 1 6 5.7 COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/0960-894X(96)00148-5
11517160 83813 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 411 4 1 4 4.6 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C(C)=O)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL220907 83813 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 411 4 1 4 4.6 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C(C)=O)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL2114442 207510 0 None - 0 Rat 5.7 pIC50 = 5.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@@H]1CCc2ccccc21)C(N)=O 10.1021/jm00037a009
44291788 100942 0 None - 0 Guinea pig 7.7 pIC50 = 7.7 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
CHEMBL297327 100942 0 None - 0 Guinea pig 7.7 pIC50 = 7.7 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
CHEMBL3361397 209832 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None CSCC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1021/jm500771w
44419718 137082 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL375640 137082 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
44419691 167932 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 425 5 1 4 5.0 CCC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL435313 167932 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 425 5 1 4 5.0 CCC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
44291015 100757 1 None - 0 Guinea pig 7.7 pIC50 = 7.7 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
CHEMBL296014 100757 1 None - 0 Guinea pig 7.7 pIC50 = 7.7 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
108147 3526 29 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Inhibitory activity against Tachykinin receptor 3 in rat cortical membranes labeled with [125I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in rat cortical membranes labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
2127 3526 29 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Inhibitory activity against Tachykinin receptor 3 in rat cortical membranes labeled with [125I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in rat cortical membranes labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
CHEMBL106124 3526 29 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Inhibitory activity against Tachykinin receptor 3 in rat cortical membranes labeled with [125I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in rat cortical membranes labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
86275210 142578 0 None - 1 Human 6.7 pIC50 = 6.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.9 CCC1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL3895534 142578 0 None - 1 Human 6.7 pIC50 = 6.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.9 CCC1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
86275448 160234 0 None - 1 Human 6.7 pIC50 = 6.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 370 3 0 8 2.3 COc1cccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)c1 nan
CHEMBL4114258 160234 0 None - 1 Human 6.7 pIC50 = 6.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 370 3 0 8 2.3 COc1cccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)c1 nan
CHEMBL2115375 207522 0 None - 0 Rat 5.7 pIC50 = 5.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@H]1CCc2ccccc21)C(N)=O 10.1021/jm00037a009
CHEMBL410808 211096 0 None - 0 Rat 5.7 pIC50 = 5.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O 10.1021/jm00037a009
51347474 125848 0 None - 0 Human 4.7 pIC50 = 4.7 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 437 6 3 6 4.7 CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O nan
CHEMBL3650415 125848 0 None - 0 Human 4.7 pIC50 = 4.7 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 437 6 3 6 4.7 CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O nan
44291016 100797 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 567 16 4 5 4.8 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCC(=O)O 10.1021/jm950892r
CHEMBL296258 100797 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 567 16 4 5 4.8 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCC(=O)O 10.1021/jm950892r
44291656 176441 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 567 16 4 5 4.8 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCC(=O)O 10.1016/S0960-894X(00)80360-1
CHEMBL46290 176441 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 567 16 4 5 4.8 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCC(=O)O 10.1016/S0960-894X(00)80360-1
CHEMBL3361401 209836 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](N)Cc1ccccc1)C(N)=O 10.1021/jm500771w
127035367 135889 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735396 135889 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
127049013 140141 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 407 6 1 3 6.7 CC[C@H](NC(=O)c1c(N=[N+]=[N-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3815065 140141 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 407 6 1 3 6.7 CC[C@H](NC(=O)c1c(N=[N+]=[N-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
44419721 83862 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221307 83862 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
23653789 3530 19 None -1 2 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm400751p
9280 3530 19 None -1 2 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm400751p
CHEMBL447955 3530 19 None -1 2 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm400751p
DB12973 3530 19 None -1 2 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm400751p
86272343 159391 0 None - 1 Human 6.6 pIC50 = 6.6 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL4107267 159391 0 None - 1 Human 6.6 pIC50 = 6.6 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
136094789 140063 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 3 4 5.2 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2cc(O)ccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3813735 140063 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 3 4 5.2 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2cc(O)ccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
9852376 98645 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 639 8 0 4 6.6 CS(=O)(=O)N1CC2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)CC2)c2ccccc21 10.1016/s0960-894x(98)00215-7
CHEMBL280789 98645 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 639 8 0 4 6.6 CS(=O)(=O)N1CC2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)CC2)c2ccccc21 10.1016/s0960-894x(98)00215-7
25028925 90934 2 None - 0 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 570 5 1 5 5.5 Cc1ccccc1[C@@H]1[C@@H](O[C@H](CO)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]2CN(C3=NC(=O)CO3)C[C@H]21 10.1021/jm400751p
CHEMBL2402572 90934 2 None - 0 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 570 5 1 5 5.5 Cc1ccccc1[C@@H]1[C@@H](O[C@H](CO)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]2CN(C3=NC(=O)CO3)C[C@H]21 10.1021/jm400751p
137647980 157394 3 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of NK3 receptor (unknown origin) by FLIPR assayInhibition of NK3 receptor (unknown origin) by FLIPR assay
ChEMBL 600 7 1 4 7.9 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccccc12)c1ccccc1 10.1021/acsmedchemlett.7b00094
CHEMBL4084542 157394 3 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of NK3 receptor (unknown origin) by FLIPR assayInhibition of NK3 receptor (unknown origin) by FLIPR assay
ChEMBL 600 7 1 4 7.9 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccccc12)c1ccccc1 10.1021/acsmedchemlett.7b00094
9869033 99958 3 None - 0 Human 5.6 pIC50 = 5.6 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 463 6 1 3 5.9 Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2ccccc2)c1 10.1016/0960-894X(96)00287-9
CHEMBL290364 99958 3 None - 0 Human 5.6 pIC50 = 5.6 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 463 6 1 3 5.9 Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2ccccc2)c1 10.1016/0960-894X(96)00287-9
CHEMBL2347499 207806 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL306072 209231 0 None - 0 Guinea pig 6.6 pIC50 = 6.6 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O 10.1016/0960-894X(94)85022-4
44290558 101052 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 615 17 3 6 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCS(C)(=O)=O 10.1021/jm950892r
CHEMBL298104 101052 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 615 17 3 6 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCS(C)(=O)=O 10.1021/jm950892r
10555683 180393 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 608 17 3 5 5.2 CN(C)C(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
CHEMBL47586 180393 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 608 17 3 5 5.2 CN(C)C(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
91809194 135867 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 857 26 9 11 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735225 135867 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 857 26 9 11 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
15608404 101093 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 746 21 7 8 1.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL298477 101093 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 746 21 7 8 1.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O 10.1016/S0960-894X(00)80360-1
44419729 83837 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221145 83837 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
129625879 144051 0 None - 1 Human 6.5 pIC50 = 6.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3907662 144051 0 None - 1 Human 6.5 pIC50 = 6.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
108147 3526 29 None -2 3 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None None 10.1039/C4MD00514G
2127 3526 29 None -2 3 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None None 10.1039/C4MD00514G
CHEMBL106124 3526 29 None -2 3 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None None 10.1039/C4MD00514G
CHEMBL3361400 209835 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O 10.1021/jm500771w
CHEMBL2347503 207810 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(N)=O 10.1016/j.bmc.2013.01.036
2090 2726 20 None 1 4 Human 8.5 pIC50 = 8.5 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
5311312 2726 20 None 1 4 Human 8.5 pIC50 = 8.5 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL437797 2726 20 None 1 4 Human 8.5 pIC50 = 8.5 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL583102 214004 5 None 5248 2 Human 8.5 pIC50 = 8.5 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44418979 83817 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 579 6 1 7 5.1 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL220963 83817 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 579 6 1 7 5.1 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
127034748 135878 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735306 135878 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
44418985 137080 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 597 6 1 7 5.3 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL375638 137080 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 597 6 1 7 5.3 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
44418986 137081 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 611 6 1 7 5.6 COC(=O)N(NC(=O)c1c(CN2CCN(C3(C)CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL375639 137081 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 611 6 1 7 5.6 COC(=O)N(NC(=O)c1c(CN2CCN(C3(C)CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL2347494 207801 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
127035368 135951 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735963 135951 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
9915428 173061 2 None - 0 Guinea pig 8.4 pIC50 = 8.4 Binding
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as radioligandCompound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as radioligand
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL45340 173061 2 None - 0 Guinea pig 8.4 pIC50 = 8.4 Binding
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as radioligandCompound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as radioligand
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
136094788 140066 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 475 7 3 5 4.9 CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2O)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3813763 140066 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 475 7 3 5 4.9 CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2O)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
71549769 118363 0 None 1 5 Human 8.4 pIC50 = 8.4 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3422018 118363 0 None 1 5 Human 8.4 pIC50 = 8.4 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
86274727 160236 0 None 912 3 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1 nan
CHEMBL4114280 160236 0 None 912 3 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1 nan
86274728 160409 0 None 1380 2 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)[C@@H]3C)n1 nan
CHEMBL4115594 160409 0 None 1380 2 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)[C@@H]3C)n1 nan
9915428 173061 2 None - 0 Rat 7.5 pIC50 = 7.5 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL45340 173061 2 None - 0 Rat 7.5 pIC50 = 7.5 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
10072464 109258 0 None - 1 Human 5.5 pIC50 = 5.5 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 450 8 4 4 2.8 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00254-Q
CHEMBL32301 109258 0 None - 1 Human 5.5 pIC50 = 5.5 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 450 8 4 4 2.8 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00254-Q
10478708 205839 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 445 8 1 1 6.1 O=C(NCCc1ccccc1)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 10.1016/S0960-894X(01)80821-0
CHEMBL94883 205839 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 445 8 1 1 6.1 O=C(NCCc1ccccc1)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 10.1016/S0960-894X(01)80821-0
10722506 178361 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 616 17 4 6 3.9 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNS(C)(=O)=O 10.1021/jm950892r
CHEMBL47035 178361 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 616 17 4 6 3.9 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNS(C)(=O)=O 10.1021/jm950892r
CHEMBL2347504 207811 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(N)=O 10.1016/j.bmc.2013.01.036
86274489 122475 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608687 122475 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL264353 208873 0 None - 0 Rat 5.5 pIC50 = 5.5 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1c2ccccc2-c2ccccc21)C(N)=O 10.1021/jm00037a009
44419758 82835 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 369 5 2 4 4.7 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NNc1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL218717 82835 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 369 5 2 4 4.7 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NNc1ccccc1 10.1016/j.bmcl.2006.08.086
86274489 122475 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 nan
CHEMBL3608687 122475 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 nan
86272100 151238 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3964898 151238 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
2110 2922 33 None 1 6 Guinea pig 6.5 pIC50 = 6.5 Binding
Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membraneAbility to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
219077 2922 33 None 1 6 Guinea pig 6.5 pIC50 = 6.5 Binding
Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membraneAbility to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
3480 2922 33 None 1 6 Guinea pig 6.5 pIC50 = 6.5 Binding
Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membraneAbility to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
CHEMBL346178 2922 33 None 1 6 Guinea pig 6.5 pIC50 = 6.5 Binding
Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membraneAbility to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
DB04872 2922 33 None 1 6 Guinea pig 6.5 pIC50 = 6.5 Binding
Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membraneAbility to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
90663907 106269 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 448 11 4 3 2.8 CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 10.1021/jm950892r
CHEMBL3144346 106269 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 448 11 4 3 2.8 CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 10.1021/jm950892r
11676652 83827 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1 10.1016/j.bmcl.2006.08.086
CHEMBL221070 83827 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1 10.1016/j.bmcl.2006.08.086
86274729 160366 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H]3C)n1 nan
CHEMBL4115295 160366 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H]3C)n1 nan
2849628 97840 8 None - 1 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL274763 97840 8 None - 1 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
22901331 11876 0 None - 1 Rat 5.5 pIC50 = 5.5 Binding
Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortexBinding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex
ChEMBL 424 4 0 4 5.2 CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 10.1021/jm00109a034
54435601 11876 0 None - 1 Rat 5.5 pIC50 = 5.5 Binding
Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortexBinding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex
ChEMBL 424 4 0 4 5.2 CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 10.1021/jm00109a034
59922977 11876 0 None - 1 Rat 5.5 pIC50 = 5.5 Binding
Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortexBinding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex
ChEMBL 424 4 0 4 5.2 CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 10.1021/jm00109a034
CHEMBL1183068 11876 0 None - 1 Rat 5.5 pIC50 = 5.5 Binding
Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortexBinding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex
ChEMBL 424 4 0 4 5.2 CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 10.1021/jm00109a034
CHEMBL278294 11876 0 None - 1 Rat 5.5 pIC50 = 5.5 Binding
Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortexBinding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex
ChEMBL 424 4 0 4 5.2 CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 10.1021/jm00109a034
44288896 168421 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 517 5 1 3 6.2 O=C(N[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](Cc2ccccc2)C1)c1ccnc2ccccc12 10.1016/0960-894X(96)00287-9
CHEMBL43912 168421 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 517 5 1 3 6.2 O=C(N[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](Cc2ccccc2)C1)c1ccnc2ccccc12 10.1016/0960-894X(96)00287-9
127034767 135891 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 799 23 9 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NN)C(N)=O 10.1039/C4MD00514G
CHEMBL3735400 135891 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 799 23 9 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NN)C(N)=O 10.1039/C4MD00514G
44419061 83859 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 495 5 2 6 4.2 COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221299 83859 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 495 5 2 6 4.2 COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
86275688 147775 0 None 794 3 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3C)n1 nan
CHEMBL3936869 147775 0 None 794 3 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3C)n1 nan
CHEMBL2347505 207812 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1016/j.bmc.2013.01.036
10743411 100891 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 482 15 3 4 5.6 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL296983 100891 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 482 15 3 4 5.6 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1016/0960-894X(95)00313-I
10743411 100891 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 482 15 3 4 5.6 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1021/jm950892r
CHEMBL296983 100891 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 482 15 3 4 5.6 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1021/jm950892r
10336036 111854 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL 318 4 1 1 3.8 O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1 10.1016/S0960-894X(96)00570-7
CHEMBL32940 111854 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL 318 4 1 1 3.8 O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1 10.1016/S0960-894X(96)00570-7
118724968 115990 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 840 26 9 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=N)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1021/jm500771w
CHEMBL3361408 115990 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 840 26 9 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=N)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1021/jm500771w
CHEMBL3736512 210442 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
44419019 136755 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 513 5 2 6 4.4 COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL375222 136755 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 513 5 2 6 4.4 COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL2347509 207816 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44419728 83831 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccc(F)cc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221094 83831 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccc(F)cc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
9851237 100819 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 580 17 4 5 4.6 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O 10.1021/jm950892r
CHEMBL296440 100819 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 580 17 4 5 4.6 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O 10.1021/jm950892r
44290617 100939 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 573 13 4 5 5.1 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCc1ccc(O)cc1 10.1021/jm950892r
CHEMBL297301 100939 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 573 13 4 5 5.1 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCc1ccc(O)cc1 10.1021/jm950892r
127035105 135897 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 784 23 8 9 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(N)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735427 135897 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 784 23 8 9 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(N)=O)C(N)=O 10.1039/C4MD00514G
44291515 100669 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 580 17 4 5 4.6 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL295301 100669 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 580 17 4 5 4.6 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O 10.1016/S0960-894X(00)80360-1
44419712 82827 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 413 3 2 5 4.5 COC(=O)N(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL218694 82827 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 413 3 2 5 4.5 COC(=O)N(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
86272103 160048 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 3 0 7 3.1 C[C@@H]1c2nnc(-c3nc(C(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4112806 160048 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 3 0 7 3.1 C[C@@H]1c2nnc(-c3nc(C(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
122187067 122471 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 370 3 0 7 2.8 CC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608683 122471 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 370 3 0 7 2.8 CC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
136094790 140144 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 3 4 5.2 CC[C@H](NC(=O)c1c(O)c(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3815072 140144 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 3 4 5.2 CC[C@H](NC(=O)c1c(O)c(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL2370235 208065 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1016/j.bmc.2013.01.036
11989776 2664 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 10.1016/j.bmcl.2006.08.085
2130 2664 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221445 2664 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 10.1016/j.bmcl.2006.08.085
9915428 173061 2 None - 0 Guinea pig 8.4 pIC50 = 8.4 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL45340 173061 2 None - 0 Guinea pig 8.4 pIC50 = 8.4 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
127034768 135970 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 827 23 7 11 -0.7 COC(=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1039/C4MD00514G
CHEMBL3736173 135970 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 827 23 7 11 -0.7 COC(=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1039/C4MD00514G
44419732 82773 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL218421 82773 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL2347495 207802 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347491 207798 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
16049828 2667 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity to gerbil NK3 receptorBinding affinity to gerbil NK3 receptor
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
2129 2667 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity to gerbil NK3 receptorBinding affinity to gerbil NK3 receptor
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL219162 2667 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity to gerbil NK3 receptorBinding affinity to gerbil NK3 receptor
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL2347493 207800 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
2125 2981 2 None - 1 Human 7.4 pIC50 = 7.4 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/0960-894X(95)00313-I
5311350 2981 2 None - 1 Human 7.4 pIC50 = 7.4 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/0960-894X(95)00313-I
CHEMBL444832 2981 2 None - 1 Human 7.4 pIC50 = 7.4 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/0960-894X(95)00313-I
44291015 100757 1 None - 0 Human 7.4 pIC50 = 7.4 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/0960-894X(95)00313-I
CHEMBL296014 100757 1 None - 0 Human 7.4 pIC50 = 7.4 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/0960-894X(95)00313-I
44291788 100942 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
CHEMBL297327 100942 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
44291015 100757 1 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
CHEMBL296014 100757 1 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
10468932 168667 0 None - 0 Guinea pig 5.4 pIC50 = 5.4 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL 281 4 0 2 2.7 O=C1C(Cc2ccccc2)OCCN1Cc1ccccc1 10.1016/0960-894X(95)00582-E
CHEMBL441040 168667 0 None - 0 Guinea pig 5.4 pIC50 = 5.4 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL 281 4 0 2 2.7 O=C1C(Cc2ccccc2)OCCN1Cc1ccccc1 10.1016/0960-894X(95)00582-E
10649927 172098 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 531 10 4 5 4.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCc1ccc(O)cc1 10.1021/jm950892r
CHEMBL44991 172098 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 531 10 4 5 4.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCc1ccc(O)cc1 10.1021/jm950892r
44291547 167290 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 531 10 4 5 4.3 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(O)cc1 10.1016/S0960-894X(00)80360-1
CHEMBL430952 167290 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 531 10 4 5 4.3 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(O)cc1 10.1016/S0960-894X(00)80360-1
10744303 172079 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 510 15 4 4 4.8 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL44965 172079 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 510 15 4 4 4.8 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL3361398 209833 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O 10.1021/jm500771w
44419733 82774 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 505 4 1 5 5.6 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(Br)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL218422 82774 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 505 4 1 5 5.6 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(Br)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
10578353 178121 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 539 16 4 5 4.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
CHEMBL46819 178121 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 539 16 4 5 4.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
10650335 100798 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 551 16 3 4 6.1 CCCCCCCCCNC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
CHEMBL296275 100798 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 551 16 3 4 6.1 CCCCCCCCCNC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
127048298 140072 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 412 6 2 4 5.5 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3813835 140072 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 412 6 2 4 5.5 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
86275682 153087 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)C3C)n1 nan
CHEMBL3980803 153087 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)C3C)n1 nan
86274961 159731 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL4110286 159731 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
73265453 125926 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 617 4 0 4 5.0 CC(=O)N1CCC(C(=O)N2CC(c3ccc(F)cn3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 nan
CHEMBL3651892 125926 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 617 4 0 4 5.0 CC(=O)N1CCC(C(=O)N2CC(c3ccc(F)cn3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 nan
10336036 111854 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 318 4 1 1 3.8 O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1 10.1016/0960-894X(95)00254-Q
CHEMBL32940 111854 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 318 4 1 1 3.8 O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1 10.1016/0960-894X(95)00254-Q
2089 2725 21 None -1202 5 Human 7.4 pIC50 = 7.4 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
3795 2725 21 None -1202 5 Human 7.4 pIC50 = 7.4 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
5311311 2725 21 None -1202 5 Human 7.4 pIC50 = 7.4 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL217406 2725 21 None -1202 5 Human 7.4 pIC50 = 7.4 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL2347497 207804 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44289197 100685 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 601 5 2 4 6.6 O=C(N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1)c1cc(O)nc2ccccc12 10.1016/0960-894X(96)00287-9
CHEMBL295425 100685 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 601 5 2 4 6.6 O=C(N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1)c1cc(O)nc2ccccc12 10.1016/0960-894X(96)00287-9
CHEMBL2372521 208524 0 None - 0 Rat 6.4 pIC50 = 6.4 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1CCc2ccccc21)C1c2ccccc2-c2ccccc21)C(N)=O 10.1021/jm00037a009
86275451 159546 0 None 4466 3 Human 8.3 pIC50 = 8.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 420 4 0 8 3.8 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL4108623 159546 0 None 4466 3 Human 8.3 pIC50 = 8.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 420 4 0 8 3.8 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
16035466 18571 1 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 367 5 1 3 5.2 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1021/jm1010012
CHEMBL1277892 18571 1 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 367 5 1 3 5.2 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1021/jm1010012
CHEMBL2347662 207826 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
127035576 135895 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 820 24 8 10 -1.2 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NS(N)(=O)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735419 135895 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 820 24 8 10 -1.2 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NS(N)(=O)=O)C(N)=O 10.1039/C4MD00514G
127049014 140125 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 2 3 6.1 CC[C@H](NC(=O)c1c(S)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3814787 140125 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 2 3 6.1 CC[C@H](NC(=O)c1c(S)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
44418983 83882 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 578 6 1 6 6.3 COC(=O)N(NC(=O)c1c(CC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221444 83882 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 578 6 1 6 6.3 COC(=O)N(NC(=O)c1c(CC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
44419015 82818 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 537 6 1 6 5.3 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL218639 82818 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 537 6 1 6 5.3 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
44419033 83723 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 555 6 1 6 5.5 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL220803 83723 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 555 6 1 6 5.5 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL2347513 207820 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
86274963 159908 0 None - 1 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(F)c2)[C@@H]3C)n1 nan
CHEMBL4111714 159908 0 None - 1 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(F)c2)[C@@H]3C)n1 nan
86274965 160011 0 None - 1 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)cc(F)c2)[C@@H]3C)n1 nan
CHEMBL4112585 160011 0 None - 1 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)cc(F)c2)[C@@H]3C)n1 nan
44419017 84136 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 494 5 2 5 5.4 COC(=O)N(NC(=O)c1c(CC2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL222072 84136 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 494 5 2 5 5.4 COC(=O)N(NC(=O)c1c(CC2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
10743412 180855 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 482 15 3 4 5.6 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL47641 180855 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 482 15 3 4 5.6 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1016/0960-894X(95)00313-I
10743412 180855 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 482 15 3 4 5.6 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1021/jm950892r
CHEMBL47641 180855 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 482 15 3 4 5.6 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1021/jm950892r
86275687 143109 0 None 776 2 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)C3C)n1 nan
CHEMBL3899877 143109 0 None 776 2 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)C3C)n1 nan
71454552 79209 0 None - 0 Guinea pig 6.3 pIC50 = 6.3 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@@](CCN3CCC4(CC3)c3ccccc3C[S@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL2114965 79209 0 None - 0 Guinea pig 6.3 pIC50 = 6.3 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@@](CCN3CCC4(CC3)c3ccccc3C[S@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
10001673 205803 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 411 6 1 1 5.9 CC(C)(C)CNC(=O)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 10.1016/S0960-894X(01)80821-0
CHEMBL94679 205803 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 411 6 1 1 5.9 CC(C)(C)CNC(=O)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 10.1016/S0960-894X(01)80821-0
CHEMBL2347657 207821 2 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
11633686 82828 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1F 10.1016/j.bmcl.2006.08.086
CHEMBL218695 82828 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1F 10.1016/j.bmcl.2006.08.086
CHEMBL307433 209234 0 None - 0 Guinea pig 6.3 pIC50 = 6.3 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL None None None CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O 10.1016/0960-894X(94)85022-4
23294208 96700 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 590 8 1 4 6.8 O=C1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 10.1016/s0960-894x(98)00215-7
CHEMBL26790 96700 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 590 8 1 4 6.8 O=C1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 10.1016/s0960-894x(98)00215-7
CHEMBL2347502 207809 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
86275685 144745 0 None 416 2 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)C3C)n1 nan
CHEMBL3913001 144745 0 None 416 2 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)C3C)n1 nan
CHEMBL3736299 210437 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
51348516 125850 0 None - 0 Human 4.3 pIC50 = 4.3 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 432 6 3 6 4.0 CCOc1cc([C@@H]2NC(=O)NC(c3cccnc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
CHEMBL3650417 125850 0 None - 0 Human 4.3 pIC50 = 4.3 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 432 6 3 6 4.0 CCOc1cc([C@@H]2NC(=O)NC(c3cccnc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
108147 3526 29 None -2 3 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None None 10.1021/jm500771w
2127 3526 29 None -2 3 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None None 10.1021/jm500771w
CHEMBL106124 3526 29 None -2 3 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None None 10.1021/jm500771w
118724964 115986 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 824 26 7 9 1.7 CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361404 115986 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 824 26 7 9 1.7 CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
86274731 160126 0 None 1584 2 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)n1 nan
CHEMBL4113428 160126 0 None 1584 2 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)n1 nan
10744303 172079 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 510 15 4 4 4.8 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL44965 172079 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 510 15 4 4 4.8 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
44419759 83891 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 383 5 1 4 4.7 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221495 83891 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 383 5 1 4 4.7 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C)c1ccccc1 10.1016/j.bmcl.2006.08.086
86274962 152694 3 None - 1 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3977343 152694 3 None - 1 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
86275686 146633 0 None 851 2 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)C3C)n1 nan
CHEMBL3927872 146633 0 None 851 2 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)C3C)n1 nan
44290917 185999 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 459 10 4 4 2.3 CC(Cc1ccccc1)(NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O 10.1021/jm950892r
CHEMBL48784 185999 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 459 10 4 4 2.3 CC(Cc1ccccc1)(NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O 10.1021/jm950892r
44291361 161887 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 459 10 4 4 2.3 C[C@@](Cc1ccccc1)(NC(=O)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL416641 161887 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 459 10 4 4 2.3 C[C@@](Cc1ccccc1)(NC(=O)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL3361399 209834 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm500771w
136094791 140060 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 3 4 5.2 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2O)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3813719 140060 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 3 4 5.2 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2O)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
102531125 135865 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735210 135865 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
86272102 122476 0 None 9 2 Human 8.2 pIC50 = 8.2 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3608688 122476 0 None 9 2 Human 8.2 pIC50 = 8.2 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
2131 3443 63 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.03.006
6604009 3443 63 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.03.006
CHEMBL10284 3443 63 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.03.006
2131 3443 63 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting methodDisplacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.11.014
6604009 3443 63 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting methodDisplacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.11.014
CHEMBL10284 3443 63 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting methodDisplacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.11.014
44276673 96908 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 604 7 1 4 6.6 O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CC2)CN(c2ccccc2)NC3=O)(c2ccc(Cl)c(Cl)c2)C1 10.1016/s0960-894x(98)00215-7
CHEMBL26951 96908 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 604 7 1 4 6.6 O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CC2)CN(c2ccccc2)NC3=O)(c2ccc(Cl)c(Cl)c2)C1 10.1016/s0960-894x(98)00215-7
CHEMBL2347489 207797 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44419696 83377 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 441 5 1 5 5.2 CCOC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL220581 83377 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 441 5 1 5 5.2 CCOC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
67232184 125925 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 548 4 0 3 4.9 CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(Cl)cc(Cl)c3)[C@H](c3ccc(F)cc3)C2)CC1 nan
CHEMBL3651891 125925 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 548 4 0 3 4.9 CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(Cl)cc(Cl)c3)[C@H](c3ccc(F)cc3)C2)CC1 nan
10024953 205955 0 None - 0 Human 4.2 pIC50 = 4.2 Binding
Compound was tested for its ability to displace [3H]senktide binding to human Tachykinin receptor 3 expressed in CHO cellsCompound was tested for its ability to displace [3H]senktide binding to human Tachykinin receptor 3 expressed in CHO cells
ChEMBL 416 5 0 2 5.3 O=C(/C=C/c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 10.1016/S0960-894X(01)80820-9
CHEMBL95489 205955 0 None - 0 Human 4.2 pIC50 = 4.2 Binding
Compound was tested for its ability to displace [3H]senktide binding to human Tachykinin receptor 3 expressed in CHO cellsCompound was tested for its ability to displace [3H]senktide binding to human Tachykinin receptor 3 expressed in CHO cells
ChEMBL 416 5 0 2 5.3 O=C(/C=C/c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 10.1016/S0960-894X(01)80820-9
86275684 152965 0 None - 1 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)C3C)n1 nan
CHEMBL3979723 152965 0 None - 1 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)C3C)n1 nan
86275207 122478 0 None 10 2 Human 7.2 pIC50 = 7.2 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608740 122478 0 None 10 2 Human 7.2 pIC50 = 7.2 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
122187069 122474 0 None - 1 Human 6.2 pIC50 = 6.2 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 372 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3(C)C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608686 122474 0 None - 1 Human 6.2 pIC50 = 6.2 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 372 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3(C)C)n1 10.1021/acsmedchemlett.5b00117
86275452 142080 0 None - 1 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)C3C)n1 nan
CHEMBL3891477 142080 0 None - 1 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)C3C)n1 nan
CHEMBL263852 208848 0 None - 0 Rat 7.2 pIC50 = 7.2 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)C)C(N)=O 10.1021/jm00037a009
73265456 125929 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 590 4 1 3 5.7 CN(C(=O)N(C)[C@@H]1CN(C(=O)NC2CCOCC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 nan
CHEMBL3651895 125929 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 590 4 1 3 5.7 CN(C(=O)N(C)[C@@H]1CN(C(=O)NC2CCOCC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 nan
16049828 2667 0 None - 0 Rat 7.2 pIC50 = 7.2 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
2129 2667 0 None - 0 Rat 7.2 pIC50 = 7.2 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL219162 2667 0 None - 0 Rat 7.2 pIC50 = 7.2 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
71452806 79288 0 None - 0 Guinea pig 6.2 pIC50 = 6.2 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@@](CCN3CCC4(CC3)c3ccccc3C[S@@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL2115416 79288 0 None - 0 Guinea pig 6.2 pIC50 = 6.2 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@@](CCN3CCC4(CC3)c3ccccc3C[S@@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
44290902 168672 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 602 14 4 6 3.5 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCc1ccc(OCC(N)=O)cc1 10.1021/jm950892r
CHEMBL44108 168672 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 602 14 4 6 3.5 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCc1ccc(OCC(N)=O)cc1 10.1021/jm950892r
CHEMBL3735858 210434 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735951 210435 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347506 207813 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
86272102 122476 0 None 9 2 Human 8.2 pIC50 = 8.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL3608688 122476 0 None 9 2 Human 8.2 pIC50 = 8.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
9915428 173061 2 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL45340 173061 2 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
2131 3443 63 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.ejmech.2013.01.044
6604009 3443 63 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.ejmech.2013.01.044
CHEMBL10284 3443 63 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.ejmech.2013.01.044
9915428 173061 2 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL45340 173061 2 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
11597466 83822 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1 10.1016/j.bmcl.2006.08.086
CHEMBL221016 83822 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1 10.1016/j.bmcl.2006.08.086
11990142 82949 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 537 5 1 6 4.5 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)=O)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL219330 82949 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 537 5 1 6 4.5 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)=O)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL2347510 207817 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3734940 210431 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
23294214 168594 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 590 7 1 4 6.9 O=C(c1ccccc1)N1CCCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 10.1016/s0960-894x(98)00215-7
CHEMBL440465 168594 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 590 7 1 4 6.9 O=C(c1ccccc1)N1CCCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 10.1016/s0960-894x(98)00215-7
127034769 135971 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 812 23 8 10 -1.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(N)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736177 135971 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 812 23 8 10 -1.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(N)=O)C(N)=O 10.1039/C4MD00514G
51348515 125851 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 432 6 3 6 4.0 CCOc1cc([C@H]2NC(=O)NC(c3cccnc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
CHEMBL3650418 125851 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 432 6 3 6 4.0 CCOc1cc([C@H]2NC(=O)NC(c3cccnc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
86274964 159800 0 None 758 2 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2)[C@@H]3C)n1 nan
CHEMBL4110770 159800 0 None 758 2 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2)[C@@H]3C)n1 nan
CHEMBL2347658 207822 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
2098 3638 31 None - 6 Guinea pig 6.1 pIC50 = 6.1 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
36511 3638 31 None - 6 Guinea pig 6.1 pIC50 = 6.1 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
3805 3638 31 None - 6 Guinea pig 6.1 pIC50 = 6.1 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
3835 3638 31 None - 6 Guinea pig 6.1 pIC50 = 6.1 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
CHEMBL235363 3638 31 None - 6 Guinea pig 6.1 pIC50 = 6.1 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
CHEMBL3734932 210430 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
86274732 122479 0 None 7 3 Human 7.1 pIC50 = 7.1 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 nan
CHEMBL3608741 122479 0 None 7 3 Human 7.1 pIC50 = 7.1 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 nan
10504093 171263 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 458 9 2 3 6.0 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL44686 171263 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 458 9 2 3 6.0 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 10.1016/0960-894X(95)00313-I
10504093 171263 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 458 9 2 3 6.0 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 10.1021/jm950892r
CHEMBL44686 171263 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 458 9 2 3 6.0 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 10.1021/jm950892r
86275447 159928 0 None - 1 Human 7.1 pIC50 = 7.1 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 354 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2C)[C@@H]3C)n1 nan
CHEMBL4111859 159928 0 None - 1 Human 7.1 pIC50 = 7.1 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 354 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2C)[C@@H]3C)n1 nan
CHEMBL269584 209054 0 None - 0 Rat 5.1 pIC50 = 5.1 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1021/jm00037a009
2090 2726 20 None 1 4 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
5311312 2726 20 None 1 4 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
CHEMBL437797 2726 20 None 1 4 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
86274732 122479 0 None 7 3 Human 7.1 pIC50 = 7.1 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608741 122479 0 None 7 3 Human 7.1 pIC50 = 7.1 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 10.1021/acsmedchemlett.5b00117
91535935 158073 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of NK3 receptor (unknown origin) by FLIPR assayInhibition of NK3 receptor (unknown origin) by FLIPR assay
ChEMBL 532 7 1 4 6.8 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/acsmedchemlett.7b00094
CHEMBL4092276 158073 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of NK3 receptor (unknown origin) by FLIPR assayInhibition of NK3 receptor (unknown origin) by FLIPR assay
ChEMBL 532 7 1 4 6.8 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/acsmedchemlett.7b00094
72548703 161019 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [3H]SR 142801 from human recombinant NK3 receptor after 120 mins by scintillation counting analysisDisplacement of [3H]SR 142801 from human recombinant NK3 receptor after 120 mins by scintillation counting analysis
ChEMBL 583 8 3 6 5.8 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 10.1016/j.bmcl.2018.03.093
CHEMBL4128926 161019 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [3H]SR 142801 from human recombinant NK3 receptor after 120 mins by scintillation counting analysisDisplacement of [3H]SR 142801 from human recombinant NK3 receptor after 120 mins by scintillation counting analysis
ChEMBL 583 8 3 6 5.8 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 10.1016/j.bmcl.2018.03.093
2132 3687 48 None 1 6 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
5311424 3687 48 None 1 6 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL10188 3687 48 None 1 6 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
44419708 83881 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 411 3 1 4 5.1 COC(=O)N(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221443 83881 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 411 3 1 4 5.1 COC(=O)N(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
2131 3443 63 None 34 2 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2013.03.016
6604009 3443 63 None 34 2 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2013.03.016
CHEMBL10284 3443 63 None 34 2 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2013.03.016
16049828 2667 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
2129 2667 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL219162 2667 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
10405990 206383 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 356 5 0 2 4.9 COC(=O)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 10.1016/S0960-894X(01)80821-0
CHEMBL98011 206383 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 356 5 0 2 4.9 COC(=O)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 10.1016/S0960-894X(01)80821-0
CHEMBL2347501 207808 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347660 207824 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3736459 210441 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
9914897 178480 0 None - 0 Rat 7.1 pIC50 = 7.1 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL47146 178480 0 None - 0 Rat 7.1 pIC50 = 7.1 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
44290890 101004 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 427 8 4 5 2.0 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O 10.1021/jm950892r
CHEMBL297777 101004 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 427 8 4 5 2.0 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O 10.1021/jm950892r
86274966 159724 0 None - 1 Human 7.1 pIC50 = 7.1 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2F)[C@@H]3C)n1 nan
CHEMBL4110224 159724 0 None - 1 Human 7.1 pIC50 = 7.1 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2F)[C@@H]3C)n1 nan
44366589 121188 0 None - 0 Guinea pig 5.1 pIC50 = 5.1 Binding
Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 8.2-9.4 uMBinding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 8.2-9.4 uM
ChEMBL 320 4 2 2 3.6 OC1CCN(Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12 10.1016/0960-894X(94)80030-8
CHEMBL358863 121188 0 None - 0 Guinea pig 5.1 pIC50 = 5.1 Binding
Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 8.2-9.4 uMBinding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 8.2-9.4 uM
ChEMBL 320 4 2 2 3.6 OC1CCN(Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12 10.1016/0960-894X(94)80030-8
CHEMBL449091 212210 0 None - 0 Guinea pig 6.1 pIC50 = 6.1 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL None None None C/C=C/CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O 10.1016/0960-894X(94)85022-4
CHEMBL2347507 207814 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
2125 2981 2 None - 1 Guinea pig 8.1 pIC50 = 8.1 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/S0960-894X(00)80360-1
5311350 2981 2 None - 1 Guinea pig 8.1 pIC50 = 8.1 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/S0960-894X(00)80360-1
CHEMBL444832 2981 2 None - 1 Guinea pig 8.1 pIC50 = 8.1 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/S0960-894X(00)80360-1
2125 2981 2 None - 1 Guinea pig 8.1 pIC50 = 8.1 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
5311350 2981 2 None - 1 Guinea pig 8.1 pIC50 = 8.1 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
CHEMBL444832 2981 2 None - 1 Guinea pig 8.1 pIC50 = 8.1 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
2090 2726 20 None 1 4 Human 8.0 pIC50 = 8.0 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
5311312 2726 20 None 1 4 Human 8.0 pIC50 = 8.0 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
CHEMBL437797 2726 20 None 1 4 Human 8.0 pIC50 = 8.0 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
102531127 135938 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 869 28 8 10 0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735812 135938 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 869 28 8 10 0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL405209 210802 0 None - 0 Rat 7.0 pIC50 = 7.0 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1c2ccccc2-c2ccccc21)C(N)=O 10.1021/jm00037a009
102531124 135974 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 807 26 8 10 -0.2 CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O 10.1039/C4MD00514G
CHEMBL3736198 135974 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 807 26 8 10 -0.2 CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O 10.1039/C4MD00514G
44419704 83807 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 397 3 1 4 4.8 COC(=O)N(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL220857 83807 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 397 3 1 4 4.8 COC(=O)N(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
10530762 101067 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
CHEMBL298272 101067 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
44291787 100754 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
CHEMBL295982 100754 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
86275207 122478 0 None 10 2 Human 7.0 pIC50 = 7.0 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 nan
CHEMBL3608740 122478 0 None 10 2 Human 7.0 pIC50 = 7.0 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 nan
44281769 109172 7 None - 0 Human 5.0 pIC50 = 5.0 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 484 10 4 4 3.2 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 10.1016/0960-894X(95)00254-Q
CHEMBL32248 109172 7 None - 0 Human 5.0 pIC50 = 5.0 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 484 10 4 4 3.2 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 10.1016/0960-894X(95)00254-Q
10016461 99614 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 279 4 0 1 3.3 O=C(Cc1ccccc1)N1CCC(Cc2ccccc2)C1 10.1016/0960-894X(95)00254-Q
CHEMBL287256 99614 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 279 4 0 1 3.3 O=C(Cc1ccccc1)N1CCC(Cc2ccccc2)C1 10.1016/0960-894X(95)00254-Q
44301357 196624 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Concentration required for binding affinity to Tachykinin receptor 3 in chinese hamster ovary cellsConcentration required for binding affinity to Tachykinin receptor 3 in chinese hamster ovary cells
ChEMBL 432 8 4 3 4.1 CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 10.1016/S0960-894X(97)00346-6
CHEMBL57601 196624 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Concentration required for binding affinity to Tachykinin receptor 3 in chinese hamster ovary cellsConcentration required for binding affinity to Tachykinin receptor 3 in chinese hamster ovary cells
ChEMBL 432 8 4 3 4.1 CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 10.1016/S0960-894X(97)00346-6
10328936 1517 28 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
2086 1517 28 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
2955 1517 28 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
CHEMBL373569 1517 28 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
44290948 168813 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 450 8 4 4 2.8 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 10.1021/jm950892r
CHEMBL44214 168813 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 450 8 4 4 2.8 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 10.1021/jm950892r
127049298 140126 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 412 6 2 4 5.5 CC[C@H](NC(=O)c1c(O)c(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3814793 140126 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 412 6 2 4 5.5 CC[C@H](NC(=O)c1c(O)c(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
67233125 125922 0 None - 0 Human 7.0 pIC50 = 7 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 564 4 1 3 5.8 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)Nc3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 nan
CHEMBL3651888 125922 0 None - 0 Human 7.0 pIC50 = 7 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 564 4 1 3 5.8 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)Nc3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 nan
2110 2922 33 None 1 6 Guinea pig 10.1 pKd = 10.1 Binding
Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsApparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 2922 33 None 1 6 Guinea pig 10.1 pKd = 10.1 Binding
Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsApparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 2922 33 None 1 6 Guinea pig 10.1 pKd = 10.1 Binding
Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsApparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 2922 33 None 1 6 Guinea pig 10.1 pKd = 10.1 Binding
Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsApparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 2922 33 None 1 6 Guinea pig 10.1 pKd = 10.1 Binding
Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsApparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
2110 2922 33 None -3 6 Human 10.1 pKd = 10.1 Binding
Binding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 10.1 pKd = 10.1 Binding
Binding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 10.1 pKd = 10.1 Binding
Binding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 10.1 pKd = 10.1 Binding
Binding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 10.1 pKd = 10.1 Binding
Binding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
2110 2922 33 None 1 6 Guinea pig 9.8 pKd = 9.8 Binding
Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 2922 33 None 1 6 Guinea pig 9.8 pKd = 9.8 Binding
Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 2922 33 None 1 6 Guinea pig 9.8 pKd = 9.8 Binding
Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 2922 33 None 1 6 Guinea pig 9.8 pKd = 9.8 Binding
Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 2922 33 None 1 6 Guinea pig 9.8 pKd = 9.8 Binding
Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
2110 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Binding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Binding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Binding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Binding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Binding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
2110 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
2110 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Apparent binding affinity to human NK3 receptor expressed in HEK293 cellsApparent binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Apparent binding affinity to human NK3 receptor expressed in HEK293 cellsApparent binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Apparent binding affinity to human NK3 receptor expressed in HEK293 cellsApparent binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Apparent binding affinity to human NK3 receptor expressed in HEK293 cellsApparent binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 2922 33 None -3 6 Human 9.7 pKd = 9.7 Binding
Apparent binding affinity to human NK3 receptor expressed in HEK293 cellsApparent binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
2110 2922 33 None -3 6 Human 9.2 pKd = 9.2 Binding
Binding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 9.2 pKd = 9.2 Binding
Binding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 9.2 pKd = 9.2 Binding
Binding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 9.2 pKd = 9.2 Binding
Binding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 9.2 pKd = 9.2 Binding
Binding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
2110 2922 33 None -3 6 Human 9.0 pKd = 9 Binding
Binding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 9.0 pKd = 9 Binding
Binding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 9.0 pKd = 9 Binding
Binding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 9.0 pKd = 9 Binding
Binding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 9.0 pKd = 9 Binding
Binding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
71453994 83121 0 None -10 2 Human 6.9 pKd = 6.9 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203706 83121 0 None -10 2 Human 6.9 pKd = 6.9 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
11490769 83123 0 None -6 2 Human 6.9 pKd = 6.9 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203708 83123 0 None -6 2 Human 6.9 pKd = 6.9 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
44241723 83119 0 None -12 2 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 83119 0 None -12 2 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2110 2922 33 None -3 6 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
2110 2922 33 None -3 6 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
2110 2922 33 None -3 6 Human 8.7 pKd = 8.7 Binding
Binding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 8.7 pKd = 8.7 Binding
Binding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 8.7 pKd = 8.7 Binding
Binding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 8.7 pKd = 8.7 Binding
Binding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 8.7 pKd = 8.7 Binding
Binding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
2132 3687 48 None 1 6 Human 8.6 pKd = 8.6 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 3687 48 None 1 6 Human 8.6 pKd = 8.6 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 3687 48 None 1 6 Human 8.6 pKd = 8.6 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
11490769 83123 0 None -6 2 Human 8.6 pKd = 8.6 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203708 83123 0 None -6 2 Human 8.6 pKd = 8.6 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2132 3687 48 None 1 6 Human 8.5 pKd = 8.5 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 3687 48 None 1 6 Human 8.5 pKd = 8.5 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 3687 48 None 1 6 Human 8.5 pKd = 8.5 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
71453994 83121 0 None -10 2 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203706 83121 0 None -10 2 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2132 3687 48 None 1 6 Human 6.6 pKd = 6.6 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 3687 48 None 1 6 Human 6.6 pKd = 6.6 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 3687 48 None 1 6 Human 6.6 pKd = 6.6 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
2110 2922 33 None -3 6 Human 7.5 pKd = 7.5 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 7.5 pKd = 7.5 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 7.5 pKd = 7.5 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 7.5 pKd = 7.5 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 7.5 pKd = 7.5 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
71455736 83124 0 None -6 2 Human 7.4 pKd = 7.4 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203709 83124 0 None -6 2 Human 7.4 pKd = 7.4 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
44241723 83119 0 None -12 2 Human 7.3 pKd = 7.3 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 83119 0 None -12 2 Human 7.3 pKd = 7.3 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2132 3687 48 None 1 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 3687 48 None 1 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 3687 48 None 1 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
2110 2922 33 None -3 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
71455736 83124 0 None -6 2 Human 7.0 pKd = 7.0 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203709 83124 0 None -6 2 Human 7.0 pKd = 7.0 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2110 2922 33 None -3 6 Human 9.7 pKi = 9.7 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2013.12.033
219077 2922 33 None -3 6 Human 9.7 pKi = 9.7 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2013.12.033
3480 2922 33 None -3 6 Human 9.7 pKi = 9.7 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL346178 2922 33 None -3 6 Human 9.7 pKi = 9.7 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2013.12.033
DB04872 2922 33 None -3 6 Human 9.7 pKi = 9.7 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2013.12.033
44241723 83119 0 None -12 2 Human 9.7 pKi = 9.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 83119 0 None -12 2 Human 9.7 pKi = 9.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2106 3490 3 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 711 12 1 6 6.4 CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C 10.1016/s0960-894x(02)00462-6
9875034 3490 3 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 711 12 1 6 6.4 CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C 10.1016/s0960-894x(02)00462-6
CHEMBL77023 3490 3 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 711 12 1 6 6.4 CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C 10.1016/s0960-894x(02)00462-6
44315483 96151 0 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 728 13 2 7 5.0 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN([C@H](CO)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL263243 96151 0 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 728 13 2 7 5.0 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN([C@H](CO)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
9810544 203084 0 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 726 12 1 6 6.4 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)(C)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL74956 203084 0 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 726 12 1 6 6.4 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)(C)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL583102 214004 5 None 5248 2 Human 9.5 pKi = 9.5 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm900948q
53239457 142905 0 None - 1 Human 9.5 pKi = 9.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 6 0 6 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3898211 142905 0 None - 1 Human 9.5 pKi = 9.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 6 0 6 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
24851680 104129 0 None - 1 Human 9.4 pKi = 9.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 617 7 0 4 7.5 CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
CHEMBL3104783 104129 0 None - 1 Human 9.4 pKi = 9.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 617 7 0 4 7.5 CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
9831546 203464 0 None -1 3 Human 9.4 pKi = 9.4 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 698 12 1 6 5.6 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL78284 203464 0 None -1 3 Human 9.4 pKi = 9.4 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 698 12 1 6 5.6 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
9853636 203739 0 None 1 3 Human 9.4 pKi = 9.4 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 762 14 1 7 5.7 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CCNS(C)(=O)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL80355 203739 0 None 1 3 Human 9.4 pKi = 9.4 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 762 14 1 7 5.7 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CCNS(C)(=O)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
2110 2922 33 None -3 6 Human 9.4 pKi = 9.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 9.4 pKi = 9.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 9.4 pKi = 9.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 9.4 pKi = 9.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 9.4 pKi = 9.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
9810434 103904 0 None -1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 713 12 1 6 6.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(C)(C)O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL310273 103904 0 None -1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 713 12 1 6 6.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(C)(C)O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
101195489 155080 0 None 1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 713 12 3 7 6.1 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
9875056 155080 0 None 1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 713 12 3 7 6.1 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL404599 155080 0 None 1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 713 12 3 7 6.1 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
9961955 172204 0 None 1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 726 11 0 7 6.4 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL451235 172204 0 None 1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 726 11 0 7 6.4 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
9831707 203318 0 None -1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 718 11 0 6 7.7 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(c3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL76965 203318 0 None -1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 718 11 0 6 7.7 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(c3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
2110 2922 33 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 2922 33 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 2922 33 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 2922 33 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 2922 33 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
2110 2922 33 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
53246866 143737 0 None - 1 Human 9.3 pKi = 9.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 610 7 0 6 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3904926 143737 0 None - 1 Human 9.3 pKi = 9.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 610 7 0 6 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53245786 147049 0 None - 1 Human 9.3 pKi = 9.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 618 6 0 5 6.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3930976 147049 0 None - 1 Human 9.3 pKi = 9.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 618 6 0 5 6.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
53245788 150677 0 None - 1 Human 9.3 pKi = 9.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 626 7 0 6 6.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3959922 150677 0 None - 1 Human 9.3 pKi = 9.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 626 7 0 6 6.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
25195470 104131 0 None - 1 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 565 11 2 4 5.4 CCCN(C(C)=O)C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/ml400528y
CHEMBL3104785 104131 0 None - 1 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 565 11 2 4 5.4 CCCN(C(C)=O)C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/ml400528y
9917970 203245 0 None 1 3 Human 9.2 pKi = 9.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 683 11 0 5 7.5 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL76437 203245 0 None 1 3 Human 9.2 pKi = 9.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 683 11 0 5 7.5 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
2110 2922 33 None 1 6 Guinea pig 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 2922 33 None 1 6 Guinea pig 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 2922 33 None 1 6 Guinea pig 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 2922 33 None 1 6 Guinea pig 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 2922 33 None 1 6 Guinea pig 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
2110 2922 33 None -3 6 Human 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
71457524 83120 0 None 5 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 597 6 1 4 7.1 Cc1cc(F)ccc1-c1cc(N2CCC[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203705 83120 0 None 5 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 597 6 1 4 7.1 Cc1cc(F)ccc1-c1cc(N2CCC[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
71452185 83122 0 None 2 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 690 7 1 6 5.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203707 83122 0 None 2 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 690 7 1 6 5.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
53246388 153335 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 602 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3982917 153335 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 602 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
9831075 203442 0 None -1 3 Human 9.2 pKi = 9.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 657 10 1 6 6.5 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL78132 203442 0 None -1 3 Human 9.2 pKi = 9.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 657 10 1 6 6.5 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
44241710 83118 0 None -3 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 83118 0 None -3 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
11490769 83123 0 None -6 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203708 83123 0 None -6 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
53246864 144426 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 6 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3910487 144426 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 6 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53246387 149546 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 6 0 6 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3950819 149546 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 6 0 6 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
58312661 149556 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 646 7 0 7 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3950885 149556 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 646 7 0 7 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
46889693 6874 0 None 1 2 Human 9.1 pKi = 9.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 599 6 1 4 7.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084523 6874 0 None 1 2 Human 9.1 pKi = 9.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 599 6 1 4 7.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
2090 2726 20 None 1 4 Human 9.1 pKi = 9.1 Binding
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL None None None None 10.1021/jm5017413
5311312 2726 20 None 1 4 Human 9.1 pKi = 9.1 Binding
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL None None None None 10.1021/jm5017413
CHEMBL437797 2726 20 None 1 4 Human 9.1 pKi = 9.1 Binding
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL None None None None 10.1021/jm5017413
9852630 203145 0 None -1 3 Human 9.1 pKi = 9.1 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 655 10 0 5 6.8 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL75598 203145 0 None -1 3 Human 9.1 pKi = 9.1 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 655 10 0 5 6.8 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
9896757 203273 0 None -1 3 Human 9.1 pKi = 9.1 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 732 12 0 6 7.7 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL76580 203273 0 None -1 3 Human 9.1 pKi = 9.1 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 732 12 0 6 7.7 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
10370066 172209 1 None -1 2 Human 9.1 pKi = 9.1 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 540 7 1 5 5.9 C[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
CHEMBL45129 172209 1 None -1 2 Human 9.1 pKi = 9.1 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 540 7 1 5 5.9 C[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
2110 2922 33 None 1 6 Guinea pig 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 2922 33 None 1 6 Guinea pig 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 2922 33 None 1 6 Guinea pig 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 2922 33 None 1 6 Guinea pig 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 2922 33 None 1 6 Guinea pig 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
25221995 195176 0 None 1 4 Human 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
CHEMBL565894 195176 0 None 1 4 Human 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
53246990 142634 0 None - 1 Human 9.1 pKi = 9.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 6 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3895968 142634 0 None - 1 Human 9.1 pKi = 9.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 6 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247609 143500 0 None - 1 Human 9.1 pKi = 9.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 602 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3902998 143500 0 None - 1 Human 9.1 pKi = 9.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 602 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
53245787 148777 0 None - 1 Human 9.1 pKi = 9.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 627 7 1 6 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3944874 148777 0 None - 1 Human 9.1 pKi = 9.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 627 7 1 6 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
44216236 6429 0 None 1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 603 9 2 5 6.2 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1082737 6429 0 None 1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 603 9 2 5 6.2 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
46889698 6854 0 None 1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 615 6 2 5 6.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@H](O)[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084439 6854 0 None 1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 615 6 2 5 6.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@H](O)[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
46889667 6795 0 None 1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 617 10 2 5 6.6 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCCO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084165 6795 0 None 1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 617 10 2 5 6.6 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCCO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
2132 3687 48 None 1 6 Human 9.0 pKi = 9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
5311424 3687 48 None 1 6 Human 9.0 pKi = 9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
CHEMBL10188 3687 48 None 1 6 Human 9.0 pKi = 9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
11569867 182523 1 None - 1 Human 9.0 pKi = 9 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 517 8 1 4 5.3 CN(Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1)S(C)(=O)=O 10.1016/j.bmcl.2008.12.005
CHEMBL479463 182523 1 None - 1 Human 9.0 pKi = 9 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 517 8 1 4 5.3 CN(Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1)S(C)(=O)=O 10.1016/j.bmcl.2008.12.005
71455736 83124 0 None -6 2 Human 9.0 pKi = 9 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203709 83124 0 None -6 2 Human 9.0 pKi = 9 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
53246505 146745 0 None - 1 Human 9.0 pKi = 9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 586 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3928796 146745 0 None - 1 Human 9.0 pKi = 9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 586 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247231 147607 0 None - 1 Human 9.0 pKi = 9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3935468 147607 0 None - 1 Human 9.0 pKi = 9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
58312612 148226 0 None - 1 Human 9.0 pKi = 9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 609 6 0 4 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)(F)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3940476 148226 0 None - 1 Human 9.0 pKi = 9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 609 6 0 4 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)(F)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
46889696 6852 0 None -1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 615 6 2 5 6.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@H](O)C[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084437 6852 0 None -1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 615 6 2 5 6.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@H](O)C[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
2110 2922 33 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
219077 2922 33 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
3480 2922 33 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
CHEMBL346178 2922 33 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
DB04872 2922 33 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
2110 2922 33 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm980633c
219077 2922 33 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm980633c
3480 2922 33 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm980633c
CHEMBL346178 2922 33 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm980633c
DB04872 2922 33 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm980633c
44266459 4454 0 None 91 2 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 381 5 2 3 5.4 CC[C@@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10224 4454 0 None 91 2 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 381 5 2 3 5.4 CC[C@@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10744541 100872 0 None 1 3 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 520 8 1 4 6.6 CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL296857 100872 0 None 1 3 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 520 8 1 4 6.6 CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
10840329 116464 0 None 1 3 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 546 8 1 4 7.2 CC[C@H](NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL33868 116464 0 None 1 3 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 546 8 1 4 7.2 CC[C@H](NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
71452185 83122 0 None 2 2 Human 8.9 pKi = 8.9 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 690 7 1 6 5.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203707 83122 0 None 2 2 Human 8.9 pKi = 8.9 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 690 7 1 6 5.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
44570937 191165 0 None - 1 Human 8.9 pKi = 8.9 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 505 8 1 4 5.3 CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
CHEMBL519770 191165 0 None - 1 Human 8.9 pKi = 8.9 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 505 8 1 4 5.3 CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
44570936 191984 0 None - 1 Human 8.9 pKi = 8.9 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 505 8 1 4 5.3 CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1 10.1016/j.bmcl.2008.12.005
CHEMBL521416 191984 0 None - 1 Human 8.9 pKi = 8.9 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 505 8 1 4 5.3 CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1 10.1016/j.bmcl.2008.12.005
9831674 103932 0 None -1 3 Human 8.9 pKi = 8.9 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 712 12 1 6 5.9 CNC(=O)CN1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O 10.1016/s0960-894x(02)00462-6
CHEMBL310334 103932 0 None -1 3 Human 8.9 pKi = 8.9 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 712 12 1 6 5.9 CNC(=O)CN1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O 10.1016/s0960-894x(02)00462-6
10691318 167052 3 None 102 2 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CC[C@@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL430118 167052 3 None 102 2 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CC[C@@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
2132 3687 48 None 1 6 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm000501v
5311424 3687 48 None 1 6 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm000501v
CHEMBL10188 3687 48 None 1 6 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm000501v
10792233 175841 0 None -1 2 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 526 7 1 4 5.9 CC(C)C(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 10.1021/jm000501v
CHEMBL45961 175841 0 None -1 2 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 526 7 1 4 5.9 CC(C)C(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 10.1021/jm000501v
46889695 6851 0 None -2 2 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 615 6 2 5 6.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@@H](O)C[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084436 6851 0 None -2 2 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 615 6 2 5 6.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@@H](O)C[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
44266493 166854 0 None 53 2 Human 8.8 pKi = 8.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 426 8 2 4 5.2 CC[C@@H](NC(=O)c1c(OCCO)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL429615 166854 0 None 53 2 Human 8.8 pKi = 8.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 426 8 2 4 5.2 CC[C@@H](NC(=O)c1c(OCCO)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
11800732 180014 0 None 3 3 Human 8.8 pKi = 8.8 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 546 8 1 4 7.2 CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL47544 180014 0 None 3 3 Human 8.8 pKi = 8.8 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 546 8 1 4 7.2 CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
53322353 58002 0 None - 1 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 579 8 1 4 6.3 COC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682668 58002 0 None - 1 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 579 8 1 4 6.3 COC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
71457524 83120 0 None 5 2 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 597 6 1 4 7.1 Cc1cc(F)ccc1-c1cc(N2CCC[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203705 83120 0 None 5 2 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 597 6 1 4 7.1 Cc1cc(F)ccc1-c1cc(N2CCC[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
44570980 1851 3 None 6 2 Human 8.8 pKi = 8.8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
5774 1851 3 None 6 2 Human 8.8 pKi = 8.8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL480249 1851 3 None 6 2 Human 8.8 pKi = 8.8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
2110 2922 33 None -3 6 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
219077 2922 33 None -3 6 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
3480 2922 33 None -3 6 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
CHEMBL346178 2922 33 None -3 6 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
DB04872 2922 33 None -3 6 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
25221995 195176 0 None -1 4 Guinea pig 8.8 pKi = 8.8 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
CHEMBL565894 195176 0 None -1 4 Guinea pig 8.8 pKi = 8.8 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
53245785 151930 0 None - 1 Human 8.8 pKi = 8.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 652 6 0 5 7.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3970996 151930 0 None - 1 Human 8.8 pKi = 8.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 652 6 0 5 7.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
9830361 181044 0 None 1 3 Human 8.8 pKi = 8.8 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 538 7 1 4 7.1 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
CHEMBL47739 181044 0 None 1 3 Human 8.8 pKi = 8.8 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 538 7 1 4 7.1 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
44241723 83119 0 None -12 2 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 83119 0 None -12 2 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2132 3687 48 None 1 6 Human 8.8 pKi = 8.8 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 3687 48 None 1 6 Human 8.8 pKi = 8.8 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 3687 48 None 1 6 Human 8.8 pKi = 8.8 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
89732751 149782 0 None - 1 Human 8.8 pKi = 8.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 610 8 1 6 5.2 CCC(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3952910 149782 0 None - 1 Human 8.8 pKi = 8.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 610 8 1 6 5.2 CCC(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
58312659 152468 0 None - 1 Human 8.8 pKi = 8.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 610 7 0 6 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
CHEMBL3975390 152468 0 None - 1 Human 8.8 pKi = 8.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 610 7 0 6 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
10668461 79053 0 None 181 2 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 6 1 3 5.8 CC[C@H](NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113673 79053 0 None 181 2 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 6 1 3 5.8 CC[C@H](NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10696939 181016 0 None 3 3 Human 8.7 pKi = 8.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 506 8 1 4 6.3 CC[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL47713 181016 0 None 3 3 Human 8.7 pKi = 8.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 506 8 1 4 6.3 CC[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
53317094 58010 0 None - 1 Human 8.7 pKi = 8.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 560 8 0 4 4.3 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(CC(=O)N2CCCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682676 58010 0 None - 1 Human 8.7 pKi = 8.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 560 8 0 4 4.3 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(CC(=O)N2CCCC2)CC1 10.1016/j.bmcl.2010.12.135
25221995 195176 0 None -1 4 Guinea pig 8.7 pKi = 8.7 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
CHEMBL565894 195176 0 None -1 4 Guinea pig 8.7 pKi = 8.7 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
44241723 83119 0 None -12 2 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 83119 0 None -12 2 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
53245911 149992 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 602 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
CHEMBL3954617 149992 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 602 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
2110 2922 33 None -3 6 Human 8.7 pKi = 8.7 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
219077 2922 33 None -3 6 Human 8.7 pKi = 8.7 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
3480 2922 33 None -3 6 Human 8.7 pKi = 8.7 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
CHEMBL346178 2922 33 None -3 6 Human 8.7 pKi = 8.7 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
DB04872 2922 33 None -3 6 Human 8.7 pKi = 8.7 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
9872857 181172 0 None -2 3 Human 8.7 pKi = 8.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 498 7 1 4 6.1 CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 10.1021/jm000501v
CHEMBL47775 181172 0 None -2 3 Human 8.7 pKi = 8.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 498 7 1 4 6.1 CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 10.1021/jm000501v
53317679 58017 0 None - 1 Human 8.7 pKi = 8.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 611 9 0 5 3.2 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CC(N2CCN(S(=O)(=O)N(C)C)CC2)C1 10.1016/j.bmcl.2010.12.135
CHEMBL1682683 58017 0 None - 1 Human 8.7 pKi = 8.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 611 9 0 5 3.2 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CC(N2CCN(S(=O)(=O)N(C)C)CC2)C1 10.1016/j.bmcl.2010.12.135
10762413 183274 0 None - 1 Human 8.7 pKi = 8.7 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 381 5 2 3 5.4 CC[C@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
CHEMBL480818 183274 0 None - 1 Human 8.7 pKi = 8.7 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 381 5 2 3 5.4 CC[C@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
53472113 118353 0 None 1 5 Human 8.7 pKi = 8.7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3422009 118353 0 None 1 5 Human 8.7 pKi = 8.7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/acsmedchemlett.5b00117
10177878 18558 0 None - 1 Human 8.7 pKi = 8.7 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 381 5 2 3 5.4 CCC(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL1277808 18558 0 None - 1 Human 8.7 pKi = 8.7 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 381 5 2 3 5.4 CCC(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
2132 3687 48 None 1 6 Human 8.7 pKi = 8.7 Binding
Displacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2013.12.033
5311424 3687 48 None 1 6 Human 8.7 pKi = 8.7 Binding
Displacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL10188 3687 48 None 1 6 Human 8.7 pKi = 8.7 Binding
Displacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2013.12.033
53472113 118353 0 None 1 5 Human 8.7 pKi = 8.7 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422009 118353 0 None 1 5 Human 8.7 pKi = 8.7 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
71549913 118351 0 None 588 3 Human 8.0 pKi = 8 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422007 118351 0 None 588 3 Human 8.0 pKi = 8 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
15508105 203123 0 None -10 3 Human 8.0 pKi = 8 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 675 10 1 7 7.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL75422 203123 0 None -10 3 Human 8.0 pKi = 8 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 675 10 1 7 7.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
25195091 1845 4 None -1 2 Human 8.0 pKi = 8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
5773 1845 4 None -1 2 Human 8.0 pKi = 8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL480628 1845 4 None -1 2 Human 8.0 pKi = 8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
44570935 183431 0 None - 1 Human 8.0 pKi = 8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 410 5 1 2 6.2 Cc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL482006 183431 0 None - 1 Human 8.0 pKi = 8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 410 5 1 2 6.2 Cc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
3946663 98118 7 None - 1 Human 8.0 pKi = 8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.1 CCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL276666 98118 7 None - 1 Human 8.0 pKi = 8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.1 CCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
57414490 129909 0 None - 1 Human 8.0 pKi = 8 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 584 5 0 5 6.3 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680190 129909 0 None - 1 Human 8.0 pKi = 8 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 584 5 0 5 6.3 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
25181433 18581 0 None - 1 Human 8.0 pKi = 8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 411 5 2 3 5.5 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1 10.1021/jm1010012
CHEMBL1277972 18581 0 None - 1 Human 8.0 pKi = 8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 411 5 2 3 5.5 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1 10.1021/jm1010012
3946663 98118 7 None - 1 Human 8.0 pKi = 8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 5 1 2 6.1 CCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL276666 98118 7 None - 1 Human 8.0 pKi = 8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 5 1 2 6.1 CCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
71549913 118351 0 None 588 3 Human 8.0 pKi = 8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422007 118351 0 None 588 3 Human 8.0 pKi = 8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
53247234 148409 0 None - 1 Human 8.0 pKi = 8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 601 6 0 4 6.1 CC1(C(=O)N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)c(Cl)c4)C3)CC2)CC1 nan
CHEMBL3941956 148409 0 None - 1 Human 8.0 pKi = 8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 601 6 0 4 6.1 CC1(C(=O)N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)c(Cl)c4)C3)CC2)CC1 nan
53246273 148721 0 None - 1 Human 8.0 pKi = 8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 568 6 0 5 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
CHEMBL3944374 148721 0 None - 1 Human 8.0 pKi = 8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 568 6 0 5 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
44550460 195361 0 None 1 4 Human 8.0 pKi = 8.0 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567198 195361 0 None 1 4 Human 8.0 pKi = 8.0 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
57414216 129896 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 543 5 0 4 5.2 CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)CC1 nan
CHEMBL3680178 129896 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 543 5 0 4 5.2 CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)CC1 nan
57414760 129918 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 574 5 0 5 5.9 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680199 129918 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 574 5 0 5 5.9 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
58046462 125297 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 489 5 0 4 4.7 CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 nan
CHEMBL3648205 125297 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 489 5 0 4 4.7 CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 nan
2132 3687 48 None 1 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 3687 48 None 1 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 3687 48 None 1 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
10600296 79060 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 466 8 2 4 5.3 CC[C@H](NC(=O)c1c(NC(=O)CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113682 79060 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 466 8 2 4 5.3 CC[C@H](NC(=O)c1c(NC(=O)CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
2110 2922 33 None -3 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
44315297 203159 0 None -9 3 Human 8.0 pKi = 8.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 833 15 1 8 8.0 CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O 10.1016/s0960-894x(02)00462-6
CHEMBL75698 203159 0 None -9 3 Human 8.0 pKi = 8.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 833 15 1 8 8.0 CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O 10.1016/s0960-894x(02)00462-6
81689815 122472 0 None 20 2 Human 7.0 pKi = 7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 344 2 0 7 1.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608684 122472 0 None 20 2 Human 7.0 pKi = 7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 344 2 0 7 1.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/acsmedchemlett.5b00117
129625879 144051 0 None - 1 Human 7.0 pKi = 7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3907662 144051 0 None - 1 Human 7.0 pKi = 7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
86275448 160234 0 None - 1 Human 7.0 pKi = 7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 370 3 0 8 2.3 COc1cccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)c1 nan
CHEMBL4114258 160234 0 None - 1 Human 7.0 pKi = 7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 370 3 0 8 2.3 COc1cccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)c1 nan
86274362 118349 0 None - 1 Human 7.0 pKi = 7 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 357 2 0 6 3.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422005 118349 0 None - 1 Human 7.0 pKi = 7 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 357 2 0 6 3.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)cs1 10.1021/jm5017413
52947688 17978 0 None - 1 Human 7.0 pKi = 7 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 648 5 0 4 4.6 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 10.1016/j.bmcl.2010.08.138
CHEMBL1269641 17978 0 None - 1 Human 7.0 pKi = 7 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 648 5 0 4 4.6 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 10.1016/j.bmcl.2010.08.138
10596000 97728 6 None - 1 Human 6.0 pKi = 6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 381 5 2 3 3.9 NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL273975 97728 6 None - 1 Human 6.0 pKi = 6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 381 5 2 3 3.9 NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10835383 206547 0 None - 1 Human 6.0 pKi = 6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 410 6 1 4 4.9 COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL9898 206547 0 None - 1 Human 6.0 pKi = 6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 410 6 1 4 4.9 COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10596000 97728 6 None - 1 Human 6.0 pKi = 6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 381 5 2 3 3.9 NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL273975 97728 6 None - 1 Human 6.0 pKi = 6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 381 5 2 3 3.9 NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
10835383 206547 0 None - 1 Human 6.0 pKi = 6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 410 6 1 4 4.9 COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL9898 206547 0 None - 1 Human 6.0 pKi = 6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 410 6 1 4 4.9 COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
73212439 104128 0 None -10 2 Human 6.0 pKi = 6 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 545 8 2 4 4.3 CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
CHEMBL3104782 104128 0 None -10 2 Human 6.0 pKi = 6 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 545 8 2 4 4.3 CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
90644630 111452 0 None -50 2 Human 6.0 pKi = 6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 725 13 2 6 6.2 CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
CHEMBL3288166 111452 0 None -50 2 Human 6.0 pKi = 6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 725 13 2 6 6.2 CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
53319707 57986 0 None - 1 Human 6.0 pKi = 6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 5.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682652 57986 0 None - 1 Human 6.0 pKi = 6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 5.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CC1 10.1016/j.bmcl.2010.12.135
122187066 122469 0 None - 1 Human 5.0 pKi = 5 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 358 2 0 7 2.5 Cc1nnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)s1 10.1021/acsmedchemlett.5b00117
CHEMBL3608681 122469 0 None - 1 Human 5.0 pKi = 5 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 358 2 0 7 2.5 Cc1nnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)s1 10.1021/acsmedchemlett.5b00117
73212590 104119 0 None - 1 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 409 8 2 4 2.3 CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL3104769 104119 0 None - 1 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 409 8 2 4 2.3 CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1ccccc1 10.1016/j.bmcl.2013.12.033
73212519 104120 0 None -12 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 517 8 2 4 3.6 O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL3104773 104120 0 None -12 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 517 8 2 4 3.6 O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 10.1016/j.bmcl.2013.12.033
73212518 104121 0 None -39 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 489 8 3 3 4.2 CNCCNC(=O)[C@@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL3104774 104121 0 None -39 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 489 8 3 3 4.2 CNCCNC(=O)[C@@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 10.1016/j.bmcl.2013.12.033
73212517 104122 0 None -31 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 475 7 3 3 3.9 CC(C)(C(=O)N[C@H](C(=O)NCCN)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
CHEMBL3104775 104122 0 None -31 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 475 7 3 3 3.9 CC(C)(C(=O)N[C@H](C(=O)NCCN)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
73212515 104125 0 None -125 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 559 8 1 4 4.7 CN(CCN1CCOCC1)C(=O)[C@@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL3104778 104125 0 None -125 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 559 8 1 4 4.7 CN(CCN1CCOCC1)C(=O)[C@@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 10.1016/j.bmcl.2013.12.033
73212440 104126 0 None -39 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 558 8 2 4 4.2 CN1CCN(CCNC(=O)[C@@H](NC(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 10.1016/j.bmcl.2013.12.033
CHEMBL3104780 104126 0 None -39 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 558 8 2 4 4.2 CN1CCN(CCNC(=O)[C@@H](NC(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 10.1016/j.bmcl.2013.12.033
73212437 104132 0 None -630 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 559 8 1 4 4.7 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL3104786 104132 0 None -630 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 559 8 1 4 4.7 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 10.1016/j.bmcl.2013.12.033
90644616 112239 0 None -25 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288159 112239 0 None -25 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3304856 112239 0 None -25 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
86272343 159391 0 None - 1 Human 7.0 pKi = 7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL4107267 159391 0 None - 1 Human 7.0 pKi = 7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
44315267 105026 0 None -40 3 Human 7.0 pKi = 7.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 701 11 1 7 8.5 CO/N=C(\CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL312141 105026 0 None -40 3 Human 7.0 pKi = 7.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 701 11 1 7 8.5 CO/N=C(\CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
10640904 167483 0 None - 1 Human 5.0 pKi = 5.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 340 5 1 3 5.5 COc1ccc2c(NCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL432321 167483 0 None - 1 Human 5.0 pKi = 5.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 340 5 1 3 5.5 COc1ccc2c(NCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
44266600 4591 0 None - 1 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 395 6 1 3 4.9 CN(C)C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10314 4591 0 None - 1 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 395 6 1 3 4.9 CN(C)C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
11795836 101434 0 None - 1 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 5 0 4 4.9 COC(=O)C(c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm960818o
CHEMBL300869 101434 0 None - 1 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 5 0 4 4.9 COC(=O)C(c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm960818o
71549503 160003 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 431 4 0 7 4.8 C[C@@H]1c2nnc(-c3coc(C4CC4)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
CHEMBL4112531 160003 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 431 4 0 7 4.8 C[C@@H]1c2nnc(-c3coc(C4CC4)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
71549360 160042 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 429 4 0 6 4.8 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
CHEMBL4112776 160042 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 429 4 0 6 4.8 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
44315390 203333 0 None -8 3 Human 8.0 pKi = 8.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 733 12 1 8 7.1 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL77042 203333 0 None -8 3 Human 8.0 pKi = 8.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 733 12 1 8 7.1 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
86272102 122476 0 None 9 2 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL3608688 122476 0 None 9 2 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
86274487 159542 0 None 691 3 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3C)n1 nan
CHEMBL4108583 159542 0 None 691 3 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3C)n1 nan
53324284 57969 0 None - 1 Human 8.0 pKi = 8.0 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 597 8 1 3 6.7 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682635 57969 0 None - 1 Human 8.0 pKi = 8.0 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 597 8 1 3 6.7 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
56591943 125305 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 542 6 0 5 5.9 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648213 125305 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 542 6 0 5 5.9 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
10303099 7196 0 None -9 2 Human 8.0 pKi = 8.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 559 7 2 4 6.8 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(NCCO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1086003 7196 0 None -9 2 Human 8.0 pKi = 8.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 559 7 2 4 6.8 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(NCCO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
56592200 125311 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 555 7 0 7 5.1 COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nn1 nan
CHEMBL3648219 125311 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 555 7 0 7 5.1 COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nn1 nan
57414623 129911 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 618 5 0 5 6.6 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680192 129911 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 618 5 0 5 6.6 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
68089265 129900 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 515 4 0 4 4.6 CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)CC1 nan
CHEMBL3680181 129900 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 515 4 0 4 4.6 CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)CC1 nan
44315370 203131 0 None -11 3 Human 7.9 pKi = 7.9 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 789 14 0 7 7.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=O)OCc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL75479 203131 0 None -11 3 Human 7.9 pKi = 7.9 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 789 14 0 7 7.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=O)OCc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
44550460 195361 0 None -1 4 Guinea pig 7.9 pKi = 7.9 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567198 195361 0 None -1 4 Guinea pig 7.9 pKi = 7.9 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
71453994 83121 0 None -10 2 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203706 83121 0 None -10 2 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
86275449 122470 0 None - 1 Human 7.0 pKi = 7.0 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL3608682 122470 0 None - 1 Human 7.0 pKi = 7.0 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
53322347 57999 0 None - 1 Human 7.0 pKi = 7.0 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 519 8 1 4 4.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccsc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682665 57999 0 None - 1 Human 7.0 pKi = 7.0 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 519 8 1 4 4.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccsc2)CC1 10.1016/j.bmcl.2010.12.135
8867347 60279 6 None 6 4 Human 6.0 pKi = 6.0 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 362 4 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760200 60279 6 None 6 4 Human 6.0 pKi = 6.0 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 362 4 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
53245909 146105 0 None - 1 Human 7.0 pKi = 7.0 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 632 6 0 5 7.0 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3923464 146105 0 None - 1 Human 7.0 pKi = 7.0 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 632 6 0 5 7.0 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
44266500 4567 0 None - 1 Human 5.9 pKi = 5.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 367 5 2 3 4.3 NC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10295 4567 0 None - 1 Human 5.9 pKi = 5.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 367 5 2 3 4.3 NC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10716491 100664 7 None - 1 Human 5.9 pKi = 5.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 6 1 4 4.4 COC(=O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm960818o
CHEMBL295270 100664 7 None - 1 Human 5.9 pKi = 5.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 6 1 4 4.4 COC(=O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm960818o
71549767 118362 0 None -4 3 Rat 6.9 pKi = 6.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422017 118362 0 None -4 3 Rat 6.9 pKi = 6.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
53246271 159752 0 None - 1 Human 6.9 pKi = 6.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 587 6 0 6 5.6 N#Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)C3)CC2)nc1 nan
CHEMBL4110450 159752 0 None - 1 Human 6.9 pKi = 6.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 587 6 0 6 5.6 N#Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)C3)CC2)nc1 nan
10833965 101445 0 None - 1 Human 6.9 pKi = 6.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 385 5 2 4 3.9 COC(=O)C(NC(=O)c1cc(-c2cc[nH]c2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL300967 101445 0 None - 1 Human 6.9 pKi = 6.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 385 5 2 4 3.9 COC(=O)C(NC(=O)c1cc(-c2cc[nH]c2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549638 159620 0 None - 1 Human 7.9 pKi = 7.9 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 415 3 0 6 4.6 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
CHEMBL4109230 159620 0 None - 1 Human 7.9 pKi = 7.9 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 415 3 0 6 4.6 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
53326273 57964 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682630 57964 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53317092 58005 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 564 8 2 3 5.6 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(NC(N)=O)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682671 58005 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 564 8 2 3 5.6 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(NC(N)=O)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
53323716 58013 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 560 8 0 4 4.3 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682679 58013 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 560 8 0 4 4.3 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCC2)CC1 10.1016/j.bmcl.2010.12.135
53246032 146018 0 None - 1 Human 7.9 pKi = 7.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 587 6 0 6 5.6 N#Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)nc1 nan
CHEMBL3922783 146018 0 None - 1 Human 7.9 pKi = 7.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 587 6 0 6 5.6 N#Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)nc1 nan
53247361 146994 0 None - 1 Human 7.9 pKi = 7.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 664 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3930679 146994 0 None - 1 Human 7.9 pKi = 7.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 664 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
11467400 6428 0 None -3 2 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 587 8 1 4 7.2 CCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
CHEMBL1082735 6428 0 None -3 2 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 587 8 1 4 7.2 CCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
44241710 83118 0 None -3 2 Human 7.9 pKi = 7.9 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 83118 0 None -3 2 Human 7.9 pKi = 7.9 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
10223181 4952 0 None - 1 Human 7.9 pKi = 7.9 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 408 7 1 2 6.7 CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL10512 4952 0 None - 1 Human 7.9 pKi = 7.9 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 408 7 1 2 6.7 CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
71533722 118355 0 None 1 5 Human 7.9 pKi = 7.9 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/acsmedchemlett.5b00117
CHEMBL3422010 118355 0 None 1 5 Human 7.9 pKi = 7.9 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/acsmedchemlett.5b00117
10223181 4952 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 408 7 1 2 6.7 CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
CHEMBL10512 4952 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 408 7 1 2 6.7 CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
53472113 118353 0 None -6 5 Rat 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422009 118353 0 None -6 5 Rat 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
118735353 118352 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 416 3 0 7 4.0 Cc1cncc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422008 118352 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 416 3 0 7 4.0 Cc1cncc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
71533722 118355 0 None 1 5 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422010 118355 0 None 1 5 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
57414879 129915 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 581 6 0 7 5.0 COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nn1 nan
CHEMBL3680196 129915 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 581 6 0 7 5.0 COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nn1 nan
54580928 60276 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 430 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760198 60276 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 430 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
8867347 60279 6 None -10 4 Rat 4.9 pKi = 4.9 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 362 4 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760200 60279 6 None -10 4 Rat 4.9 pKi = 4.9 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 362 4 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
10430798 193134 0 None - 1 Human 5.9 pKi = 5.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 395 5 1 3 5.2 COC(=O)C(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL53884 193134 0 None - 1 Human 5.9 pKi = 5.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 395 5 1 3 5.2 COC(=O)C(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1 10.1021/jm960818o
9849950 100900 0 None -64 2 Human 5.9 pKi = 5.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 458 8 1 4 5.3 CCC(CC)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 10.1021/jm000501v
CHEMBL297086 100900 0 None -64 2 Human 5.9 pKi = 5.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 458 8 1 4 5.3 CCC(CC)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 10.1021/jm000501v
2132 3687 48 None 1 6 Human 6.9 pKi = 6.9 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 3687 48 None 1 6 Human 6.9 pKi = 6.9 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 3687 48 None 1 6 Human 6.9 pKi = 6.9 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
10501724 192780 0 None - 1 Human 5.9 pKi = 5.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 5 1 4 4.9 COC(=O)C(NC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL52537 192780 0 None - 1 Human 5.9 pKi = 5.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 5 1 4 4.9 COC(=O)C(NC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1ccccc1 10.1021/jm960818o
86275449 122470 0 None - 1 Human 6.9 pKi = 6.9 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608682 122470 0 None - 1 Human 6.9 pKi = 6.9 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
71549767 118362 0 None -4 3 Rat 6.9 pKi = 6.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422017 118362 0 None -4 3 Rat 6.9 pKi = 6.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
90644632 111454 0 None -7 2 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 698 12 3 6 5.6 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288168 111454 0 None -7 2 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 698 12 3 6 5.6 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
9956370 173150 0 None -301 3 Human 5.9 pKi = 5.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 470 6 1 4 5.5 CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1 10.1021/jm000501v
CHEMBL45362 173150 0 None -301 3 Human 5.9 pKi = 5.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 470 6 1 4 5.5 CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1 10.1021/jm000501v
9958115 172927 0 None -6309 2 Human 5.9 pKi = 5.9 Binding
Displacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 514 6 1 3 5.2 C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2008.05.082
CHEMBL453054 172927 0 None -6309 2 Human 5.9 pKi = 5.9 Binding
Displacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 514 6 1 3 5.2 C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2008.05.082
122187068 122473 0 None - 1 Human 5.9 pKi = 5.9 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 344 2 0 7 2.2 C[C@@H]1c2nnc(-c3ncns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3608685 122473 0 None - 1 Human 5.9 pKi = 5.9 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 344 2 0 7 2.2 C[C@@H]1c2nnc(-c3ncns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
9853827 84797 0 None -7943 3 Human 5.9 pKi = 5.9 Binding
Displacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cellsDisplacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cells
ChEMBL 790 10 6 8 1.5 O=C1C[C@@H](NC(=O)CN2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 10.1021/jm040832y
CHEMBL225588 84797 0 None -7943 3 Human 5.9 pKi = 5.9 Binding
Displacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cellsDisplacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cells
ChEMBL 790 10 6 8 1.5 O=C1C[C@@H](NC(=O)CN2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 10.1021/jm040832y
53482949 118336 0 None - 1 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 381 3 0 5 3.7 O=C(c1ccc(-c2ccccc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421989 118336 0 None - 1 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 381 3 0 5 3.7 O=C(c1ccc(-c2ccccc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
90644606 112293 0 None -6 2 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 2 6 5.3 CN1C(=O)OC2(CCN(CC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288154 112293 0 None -6 2 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 2 6 5.3 CN1C(=O)OC2(CCN(CC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305869 112293 0 None -6 2 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 2 6 5.3 CN1C(=O)OC2(CCN(CC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
10222132 4156 0 None - 1 Human 6.9 pKi = 6.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 392 4 1 2 6.1 O=C(NC1(c2ccccc2)CCCC1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL10031 4156 0 None - 1 Human 6.9 pKi = 6.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 392 4 1 2 6.1 O=C(NC1(c2ccccc2)CCCC1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
5764 3441 35 None 58 2 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm980633c
6604858 3441 35 None 58 2 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm980633c
CHEMBL9843 3441 35 None 58 2 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm980633c
57414621 129904 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 564 5 0 5 5.9 Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nc1 nan
CHEMBL3680185 129904 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 564 5 0 5 5.9 Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nc1 nan
53472113 118353 0 None -6 5 Rat 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422009 118353 0 None -6 5 Rat 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
53322346 57975 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682641 57975 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
5764 3441 35 None 58 2 Human 7.9 pKi = 7.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm960818o
6604858 3441 35 None 58 2 Human 7.9 pKi = 7.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm960818o
CHEMBL9843 3441 35 None 58 2 Human 7.9 pKi = 7.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm960818o
6604014 206112 6 None 28 2 Human 7.9 pKi = 7.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm9602423
CHEMBL9643 206112 6 None 28 2 Human 7.9 pKi = 7.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm9602423
10223181 4952 0 None - 1 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 408 7 1 2 6.7 CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
CHEMBL10512 4952 0 None - 1 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 408 7 1 2 6.7 CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
1760287 4231 2 None 2 2 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 5 1 2 5.8 CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10079 4231 2 None 2 2 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 5 1 2 5.8 CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
52949416 18201 0 None - 1 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 592 5 0 4 4.3 CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 10.1016/j.bmcl.2010.08.138
CHEMBL1271297 18201 0 None - 1 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 592 5 0 4 4.3 CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 10.1016/j.bmcl.2010.08.138
58312640 149141 0 None - 1 Human 6.9 pKi = 6.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 600 6 1 5 3.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)NC3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3947546 149141 0 None - 1 Human 6.9 pKi = 6.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 600 6 1 5 3.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)NC3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
10272462 101348 0 None - 1 Human 6.9 pKi = 6.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 4 4.9 COC(=O)C(NC(=O)c1cc(C2CCCCC2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL300249 101348 0 None - 1 Human 6.9 pKi = 6.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 4 4.9 COC(=O)C(NC(=O)c1cc(C2CCCCC2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
1981061 97890 9 None - 1 Human 6.9 pKi = 6.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 414 5 1 2 6.4 O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL275095 97890 9 None - 1 Human 6.9 pKi = 6.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 414 5 1 2 6.4 O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
53247360 159700 0 None - 1 Human 6.9 pKi = 6.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4109981 159700 0 None - 1 Human 6.9 pKi = 6.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
53326864 57962 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 593 9 1 4 6.0 COc1ccccc1CN(C)C(=O)C1(c2ccc(Cl)c(Cl)c2)CC1CN1CCC(NC(C)=O)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682629 57962 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 593 9 1 4 6.0 COc1ccccc1CN(C)C(=O)C1(c2ccc(Cl)c(Cl)c2)CC1CN1CCC(NC(C)=O)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
53318370 57981 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 569 8 1 4 6.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccsc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682647 57981 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 569 8 1 4 6.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccsc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53323702 57988 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 531 8 1 3 5.0 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(F)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682654 57988 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 531 8 1 3 5.0 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(F)c2)CC1 10.1016/j.bmcl.2010.12.135
53317083 57997 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 557 8 1 5 4.6 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682663 57997 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 557 8 1 5 4.6 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1 10.1016/j.bmcl.2010.12.135
53326280 58019 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 422 7 1 2 5.0 CC(C)NC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 10.1016/j.bmcl.2010.12.135
CHEMBL1682685 58019 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 422 7 1 2 5.0 CC(C)NC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 10.1016/j.bmcl.2010.12.135
10740312 101338 0 None - 1 Human 6.9 pKi = 6.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 5 1 4 4.9 COC(=O)C(NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL300180 101338 0 None - 1 Human 6.9 pKi = 6.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 5 1 4 4.9 COC(=O)C(NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
10572714 4964 0 None - 1 Human 6.8 pKi = 6.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 394 7 1 2 6.6 CCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10517 4964 0 None - 1 Human 6.8 pKi = 6.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 394 7 1 2 6.6 CCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
56591944 125300 0 None - 1 Human 7.8 pKi = 7.8 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 529 6 0 4 6.4 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648208 125300 0 None - 1 Human 7.8 pKi = 7.8 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 529 6 0 4 6.4 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
56592033 125301 0 None - 1 Human 7.8 pKi = 7.8 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 538 6 0 5 6.0 Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nc1 nan
CHEMBL3648209 125301 0 None - 1 Human 7.8 pKi = 7.8 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 538 6 0 5 6.0 Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nc1 nan
86274488 160170 0 None 1584 2 Human 7.8 pKi = 7.8 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL4113741 160170 0 None 1584 2 Human 7.8 pKi = 7.8 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
53318369 57970 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 593 9 1 4 6.0 COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 10.1016/j.bmcl.2010.12.135
CHEMBL1682636 57970 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 593 9 1 4 6.0 COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 10.1016/j.bmcl.2010.12.135
53246740 147301 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 557 6 0 4 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3932960 147301 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 557 6 0 4 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
46889668 6497 0 None -8 2 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 599 5 1 4 7.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC(O)C2)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1083051 6497 0 None -8 2 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 599 5 1 4 7.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC(O)C2)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
10202481 161469 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 422 8 1 2 7.1 CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
CHEMBL415968 161469 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 422 8 1 2 7.1 CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
44570858 182510 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 399 5 2 3 5.5 CC[C@H](NC(=O)c1c(N)c(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
CHEMBL479449 182510 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 399 5 2 3 5.5 CC[C@H](NC(=O)c1c(N)c(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
10202481 161469 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 422 8 1 2 7.1 CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL415968 161469 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 422 8 1 2 7.1 CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
10202481 161469 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 422 8 1 2 7.1 CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
CHEMBL415968 161469 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 422 8 1 2 7.1 CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
10526297 79061 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 423 6 2 3 5.7 CC[C@H](NC(=O)c1c(NC(C)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113683 79061 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 423 6 2 3 5.7 CC[C@H](NC(=O)c1c(NC(C)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
86275210 142578 0 None - 1 Human 6.8 pKi = 6.8 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.9 CCC1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL3895534 142578 0 None - 1 Human 6.8 pKi = 6.8 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.9 CCC1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
86275450 159361 0 None - 1 Human 6.8 pKi = 6.8 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 365 2 0 8 2.2 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C#N)cc2)[C@@H]3C)n1 nan
CHEMBL4107016 159361 0 None - 1 Human 6.8 pKi = 6.8 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 365 2 0 8 2.2 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C#N)cc2)[C@@H]3C)n1 nan
53322354 58018 0 None - 1 Human 6.8 pKi = 6.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 422 8 1 2 5.0 CCCNC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 10.1016/j.bmcl.2010.12.135
CHEMBL1682684 58018 0 None - 1 Human 6.8 pKi = 6.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 422 8 1 2 5.0 CCCNC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 10.1016/j.bmcl.2010.12.135
10572714 4964 0 None - 1 Human 6.8 pKi = 6.8 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 394 7 1 2 6.6 CCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL10517 4964 0 None - 1 Human 6.8 pKi = 6.8 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 394 7 1 2 6.6 CCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
52947724 18482 0 None - 1 Human 6.8 pKi = 6.8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 393 7 1 1 7.2 CCCCC(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL1277075 18482 0 None - 1 Human 6.8 pKi = 6.8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 393 7 1 1 7.2 CCCCC(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1 10.1021/jm1010012
53482947 118341 0 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 405 3 1 6 3.0 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421996 118341 0 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 405 3 1 6 3.0 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
118735350 118346 0 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.4 Cc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)nc1 10.1021/jm5017413
CHEMBL3422001 118346 0 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.4 Cc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)nc1 10.1021/jm5017413
90644604 112247 0 None -12 2 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 2 6 5.3 CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288153 112247 0 None -12 2 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 2 6 5.3 CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305011 112247 0 None -12 2 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 2 6 5.3 CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
90644622 112248 0 None -25 2 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 3 6 5.6 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288162 112248 0 None -25 2 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 3 6 5.6 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305013 112248 0 None -25 2 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 3 6 5.6 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
118735348 118340 0 None - 1 Human 4.8 pKi = 4.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 385 3 0 6 3.6 Cc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)o1 10.1021/jm5017413
CHEMBL3421995 118340 0 None - 1 Human 4.8 pKi = 4.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 385 3 0 6 3.6 Cc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)o1 10.1021/jm5017413
71533722 118355 0 None 1 5 Human 7.8 pKi = 7.8 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
CHEMBL3422010 118355 0 None 1 5 Human 7.8 pKi = 7.8 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
53323699 57974 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682640 57974 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53246742 149970 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 6 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3954483 149970 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 6 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53245913 148930 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 570 6 1 5 3.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3946054 148930 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 570 6 1 5 3.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
54584910 60342 0 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(F)c3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760336 60342 0 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(F)c3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
52943090 17977 0 None -79 2 Human 6.8 pKi = 6.8 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 666 5 0 4 4.8 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(F)cc1 10.1016/j.bmcl.2010.08.138
CHEMBL1269640 17977 0 None -79 2 Human 6.8 pKi = 6.8 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 666 5 0 4 4.8 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(F)cc1 10.1016/j.bmcl.2010.08.138
44266517 4170 0 None - 1 Human 5.8 pKi = 5.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 4.5 O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL10039 4170 0 None - 1 Human 5.8 pKi = 5.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 4.5 O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
44315591 203266 0 None -69 3 Human 6.8 pKi = 6.8 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 746 13 1 8 6.9 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(N)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL76529 203266 0 None -69 3 Human 6.8 pKi = 6.8 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 746 13 1 8 6.9 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(N)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
10291688 193082 0 None - 1 Human 5.8 pKi = 5.8 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 354 4 1 3 5.2 COc1ccc2c(C(=O)Nc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL53699 193082 0 None - 1 Human 5.8 pKi = 5.8 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 354 4 1 3 5.2 COc1ccc2c(C(=O)Nc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
53323715 58011 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 548 9 0 4 4.1 CN(C)C(=O)CCN1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682677 58011 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 548 9 0 4 4.1 CN(C)C(=O)CCN1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53247363 147464 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 620 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3934266 147464 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 620 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
58312617 142322 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 640 7 0 5 5.2 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)N(C(C)C)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3893276 142322 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 640 7 0 5 5.2 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)N(C(C)C)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
44315422 102664 0 None -74 3 Human 6.8 pKi = 6.8 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 747 13 1 8 7.5 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL307877 102664 0 None -74 3 Human 6.8 pKi = 6.8 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 747 13 1 8 7.5 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
1760285 206649 3 None 13 2 Human 7.8 pKi = 7.8 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 366 5 1 2 5.8 CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm9602423
CHEMBL9960 206649 3 None 13 2 Human 7.8 pKi = 7.8 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 366 5 1 2 5.8 CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm9602423
53320999 57960 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2F)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682627 57960 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2F)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
11797202 188197 0 None - 1 Human 6.8 pKi = 6.8 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 436 4 1 4 5.0 COC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CCC2)c1ccccc1 10.1021/jm960818o
CHEMBL50571 188197 0 None - 1 Human 6.8 pKi = 6.8 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 436 4 1 4 5.0 COC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CCC2)c1ccccc1 10.1021/jm960818o
10716102 189114 0 None - 1 Human 6.8 pKi = 6.8 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1 10.1021/jm960818o
CHEMBL51552 189114 0 None - 1 Human 6.8 pKi = 6.8 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1 10.1021/jm960818o
3245625 20244 10 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 397 4 0 5 4.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1306947 20244 10 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 397 4 0 5 4.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 10.1016/j.bmcl.2011.02.033
10693708 192951 0 None - 1 Human 5.7 pKi = 5.7 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL52960 192951 0 None - 1 Human 5.7 pKi = 5.7 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549363 151160 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 419 4 0 7 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
CHEMBL3964222 151160 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 419 4 0 7 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
86274489 122475 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 nan
CHEMBL3608687 122475 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 nan
56591856 125306 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 558 6 0 5 6.4 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648214 125306 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 558 6 0 5 6.4 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
44241723 83119 0 None -12 2 Human 7.7 pKi = 7.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 83119 0 None -12 2 Human 7.7 pKi = 7.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
86274489 122475 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608687 122475 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
71533722 118355 0 None -1 5 Rhesus macaque 7.7 pKi = 7.7 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422010 118355 0 None -1 5 Rhesus macaque 7.7 pKi = 7.7 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
71549769 118363 0 None -6 5 Rat 7.7 pKi = 7.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422018 118363 0 None -6 5 Rat 7.7 pKi = 7.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
90644628 112237 0 None -1 2 Human 7.7 pKi = 7.7 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 3 6 5.4 CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
CHEMBL3288165 112237 0 None -1 2 Human 7.7 pKi = 7.7 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 3 6 5.4 CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
CHEMBL3304854 112237 0 None -1 2 Human 7.7 pKi = 7.7 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 3 6 5.4 CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
2132 3687 48 None -17 6 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2011.02.033
5311424 3687 48 None -17 6 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2011.02.033
CHEMBL10188 3687 48 None -17 6 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2011.02.033
54584911 60349 0 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 394 4 1 3 4.3 CCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760349 60349 0 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 394 4 1 3 4.3 CCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
53325566 57993 0 None - 1 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 538 8 1 4 4.7 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C#N)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682659 57993 0 None - 1 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 538 8 1 4 4.7 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C#N)c2)CC1 10.1016/j.bmcl.2010.12.135
52946726 17975 0 None -173 2 Human 6.7 pKi = 6.7 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 607 8 2 4 4.5 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N(CCO)CCO)C[C@@H]1c1ccc(F)cc1 10.1016/j.bmcl.2010.08.138
CHEMBL1269638 17975 0 None -173 2 Human 6.7 pKi = 6.7 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 607 8 2 4 4.5 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N(CCO)CCO)C[C@@H]1c1ccc(F)cc1 10.1016/j.bmcl.2010.08.138
10597773 188124 0 None - 1 Human 5.7 pKi = 5.7 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 5 2 5 4.3 COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(O)cc1 10.1021/jm960818o
CHEMBL50453 188124 0 None - 1 Human 5.7 pKi = 5.7 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 5 2 5 4.3 COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(O)cc1 10.1021/jm960818o
5769 3468 3 None -194 2 Human 6.7 pKi = 6.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 512 6 1 4 6.5 O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C 10.1021/jm000501v
9806459 3468 3 None -194 2 Human 6.7 pKi = 6.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 512 6 1 4 6.5 O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C 10.1021/jm000501v
CHEMBL295770 3468 3 None -194 2 Human 6.7 pKi = 6.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 512 6 1 4 6.5 O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C 10.1021/jm000501v
2132 3687 48 None -17 6 Rat 6.7 pKi = 6.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
5311424 3687 48 None -17 6 Rat 6.7 pKi = 6.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
CHEMBL10188 3687 48 None -17 6 Rat 6.7 pKi = 6.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
10155886 206651 0 None - 1 Human 6.7 pKi = 6.7 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 368 5 2 3 4.4 O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
CHEMBL9961 206651 0 None - 1 Human 6.7 pKi = 6.7 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 368 5 2 3 4.4 O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
122187069 122474 0 None - 1 Human 6.7 pKi = 6.7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 372 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3(C)C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608686 122474 0 None - 1 Human 6.7 pKi = 6.7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 372 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3(C)C)n1 10.1021/acsmedchemlett.5b00117
10155886 206651 0 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 368 5 2 3 4.4 O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
CHEMBL9961 206651 0 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 368 5 2 3 4.4 O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
2132 3687 48 None -17 6 Rat 6.7 pKi = 6.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
5311424 3687 48 None -17 6 Rat 6.7 pKi = 6.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
CHEMBL10188 3687 48 None -17 6 Rat 6.7 pKi = 6.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
67452845 118337 0 None - 1 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 399 3 0 5 3.8 O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421990 118337 0 None - 1 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 399 3 0 5 3.8 O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
90644618 112266 0 None -3 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288160 112266 0 None -3 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305331 112266 0 None -3 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
2115 1817 17 None -199526 3 Guinea pig 4.7 pKi = 4.7 Binding
Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranesTested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranes
ChEMBL 414 7 1 3 4.1 COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 10.1016/S0960-894X(01)80541-2
9953599 1817 17 None -199526 3 Guinea pig 4.7 pKi = 4.7 Binding
Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranesTested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranes
ChEMBL 414 7 1 3 4.1 COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 10.1016/S0960-894X(01)80541-2
CHEMBL2110370 1817 17 None -199526 3 Guinea pig 4.7 pKi = 4.7 Binding
Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranesTested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranes
ChEMBL 414 7 1 3 4.1 COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 10.1016/S0960-894X(01)80541-2
10151946 79955 0 None -1995 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 474 6 2 3 5.0 CNC(=O)[C@]1(N)C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 10.1016/j.bmcl.2006.04.031
CHEMBL214388 79955 0 None -1995 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 474 6 2 3 5.0 CNC(=O)[C@]1(N)C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 10.1016/j.bmcl.2006.04.031
9961936 102615 0 None -2 3 Human 8.7 pKi = 8.7 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 723 12 1 8 5.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3nn[nH]n3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL307498 102615 0 None -2 3 Human 8.7 pKi = 8.7 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 723 12 1 8 5.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3nn[nH]n3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
10790452 79058 0 None - 1 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 468 9 1 5 5.7 CCOC(=O)COc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1 10.1021/jm980633c
CHEMBL2113680 79058 0 None - 1 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 468 9 1 5 5.7 CCOC(=O)COc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1 10.1021/jm980633c
53247117 143558 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 591 6 0 4 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3903457 143558 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 591 6 0 4 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53246617 143668 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 582 6 0 5 6.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3904320 143668 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 582 6 0 5 6.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53246618 143788 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 6 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3905385 143788 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 6 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53247115 144669 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 573 6 0 4 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3912486 144669 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 573 6 0 4 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53245784 144710 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3912773 144710 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53245781 144712 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3912790 144712 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53246503 145639 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 573 6 0 4 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3919899 145639 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 573 6 0 4 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247605 146606 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3927694 146606 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53247604 146753 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 628 7 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3928874 146753 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 628 7 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53247231 147607 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3935468 147607 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
53246741 147664 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 6 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3935853 147664 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 6 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53246502 147883 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 636 6 0 5 6.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3937691 147883 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 636 6 0 5 6.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247482 150090 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 533 5 0 4 4.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3955374 150090 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 533 5 0 4 4.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247237 150259 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 584 6 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3956685 150259 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 584 6 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247116 159939 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 641 6 0 4 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL4111953 159939 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 641 6 0 4 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
57412055 129905 0 None - 1 Human 8.7 pKi = 8.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680186 129905 0 None - 1 Human 8.7 pKi = 8.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
2110 2922 33 None -3 6 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
58312637 150129 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 555 6 0 4 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3955673 150129 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 555 6 0 4 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
44315298 102637 0 None -1 3 Human 8.7 pKi = 8.7 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 721 12 0 6 7.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccoc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL307733 102637 0 None -1 3 Human 8.7 pKi = 8.7 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 721 12 0 6 7.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccoc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
44266422 4376 0 None 79 2 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 423 7 1 3 5.8 CC[C@@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10162 4376 0 None 79 2 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 423 7 1 3 5.8 CC[C@@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
44266599 4578 0 None 97 2 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 440 8 2 4 5.2 CC[C@@H](NC(=O)c1c(OCC(=O)O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10303 4578 0 None 97 2 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 440 8 2 4 5.2 CC[C@@H](NC(=O)c1c(OCC(=O)O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10812218 171506 0 None 79 3 Human 8.7 pKi = 8.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 423 7 1 3 5.8 CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL44722 171506 0 None 79 3 Human 8.7 pKi = 8.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 423 7 1 3 5.8 CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
54768041 125303 0 None - 1 Human 8.6 pKi = 8.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 548 6 0 5 6.2 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648211 125303 0 None - 1 Human 8.6 pKi = 8.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 548 6 0 5 6.2 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
23653789 3530 19 None -1 2 Human 8.6 pKi = 8.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm8016514
9280 3530 19 None -1 2 Human 8.6 pKi = 8.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm8016514
CHEMBL447955 3530 19 None -1 2 Human 8.6 pKi = 8.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm8016514
DB12973 3530 19 None -1 2 Human 8.6 pKi = 8.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm8016514
44266510 97824 0 None - 1 Human 8.6 pKi = 8.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 467 8 1 4 5.3 CC[C@@H](NC(=O)c1c(OCC(=O)N(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL274629 97824 0 None - 1 Human 8.6 pKi = 8.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 467 8 1 4 5.3 CC[C@@H](NC(=O)c1c(OCC(=O)N(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
133090 97971 18 None 9 3 Human 8.6 pKi = 8.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL275544 97971 18 None 9 3 Human 8.6 pKi = 8.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
11490769 83123 0 None -6 2 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203708 83123 0 None -6 2 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
58312632 152433 0 None - 1 Human 8.6 pKi = 8.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 591 6 0 4 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)(F)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3975174 152433 0 None - 1 Human 8.6 pKi = 8.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 591 6 0 4 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)(F)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
71453994 83121 0 None -10 2 Human 8.6 pKi = 8.6 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203706 83121 0 None -10 2 Human 8.6 pKi = 8.6 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
133090 97971 18 None 9 3 Human 8.6 pKi = 8.6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL275544 97971 18 None 9 3 Human 8.6 pKi = 8.6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
133090 97971 18 None 9 3 Human 8.6 pKi = 8.6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL275544 97971 18 None 9 3 Human 8.6 pKi = 8.6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
118735355 118359 0 None - 1 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 449 4 0 7 5.5 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422014 118359 0 None - 1 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 449 4 0 7 5.5 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
90644631 111453 0 None 12 2 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 684 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288167 111453 0 None 12 2 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 684 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
25222441 195465 0 None -1 4 Guinea pig 8.6 pKi = 8.6 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567849 195465 0 None -1 4 Guinea pig 8.6 pKi = 8.6 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
57414622 129914 0 None - 1 Human 8.6 pKi = 8.6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680195 129914 0 None - 1 Human 8.6 pKi = 8.6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
53319719 58003 0 None - 1 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 592 8 1 3 6.2 CN(C)C(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682669 58003 0 None - 1 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 592 8 1 3 6.2 CN(C)C(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
44241710 83118 0 None -3 2 Human 8.5 pKi = 8.5 Binding
Binding affinity to wild type human NK3 receptorBinding affinity to wild type human NK3 receptor
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 83118 0 None -3 2 Human 8.5 pKi = 8.5 Binding
Binding affinity to wild type human NK3 receptorBinding affinity to wild type human NK3 receptor
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
57414996 129925 0 None - 1 Human 8.5 pKi = 8.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680206 129925 0 None - 1 Human 8.5 pKi = 8.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
44241710 83118 0 None -3 2 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 83118 0 None -3 2 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
11296094 6353 0 None -3 2 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 573 7 1 4 6.8 CN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
CHEMBL1082415 6353 0 None -3 2 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 573 7 1 4 6.8 CN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
89493243 148065 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 4 0 7 4.9 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
CHEMBL3939146 148065 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 4 0 7 4.9 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
44315369 102545 0 None -13 3 Human 7.7 pKi = 7.7 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 689 10 0 7 7.5 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(C)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL306952 102545 0 None -13 3 Human 7.7 pKi = 7.7 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 689 10 0 7 7.5 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(C)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
86274490 159339 0 None 1000 3 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]3C)n1 nan
CHEMBL4106866 159339 0 None 1000 3 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]3C)n1 nan
57414999 129928 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 618 5 0 5 6.4 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680209 129928 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 618 5 0 5 6.4 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
54582966 60338 0 None - 1 Human 7.7 pKi = 7.7 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 490 6 1 4 5.4 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2OCc2cccc(F)c2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760332 60338 0 None - 1 Human 7.7 pKi = 7.7 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 490 6 1 4 5.4 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2OCc2cccc(F)c2)CC1 10.1016/j.bmcl.2011.02.033
44216344 57959 0 None - 1 Human 7.7 pKi = 7.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 597 8 1 3 6.7 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682626 57959 0 None - 1 Human 7.7 pKi = 7.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 597 8 1 3 6.7 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
57414217 129897 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 6.3 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680179 129897 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 6.3 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
153996 112171 2 None -660 3 Human 6.7 pKi = 6.7 Binding
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsBinding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
ChEMBL 639 10 1 6 5.7 COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(01)00572-8
CHEMBL330366 112171 2 None -660 3 Human 6.7 pKi = 6.7 Binding
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsBinding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
ChEMBL 639 10 1 6 5.7 COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(01)00572-8
CHEMBL539021 112171 2 None -660 3 Human 6.7 pKi = 6.7 Binding
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsBinding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
ChEMBL 639 10 1 6 5.7 COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(01)00572-8
44241710 83118 0 None -3 2 Human 5.7 pKi = 5.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 83118 0 None -3 2 Human 5.7 pKi = 5.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
81689815 122472 0 None -20 2 Rat 5.7 pKi = 5.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 344 2 0 7 1.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608684 122472 0 None -20 2 Rat 5.7 pKi = 5.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 344 2 0 7 1.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/acsmedchemlett.5b00117
10155886 206651 0 None - 1 Human 6.7 pKi = 6.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 368 5 2 3 4.4 O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL9961 206651 0 None - 1 Human 6.7 pKi = 6.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 368 5 2 3 4.4 O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
71549768 160020 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)sc1C nan
CHEMBL4112613 160020 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)sc1C nan
53245907 146733 0 None - 1 Human 7.7 pKi = 7.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 6 5.9 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3928681 146733 0 None - 1 Human 7.7 pKi = 7.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 6 5.9 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
57415120 129929 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 581 6 0 7 4.8 COc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nn1 nan
CHEMBL3680210 129929 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 581 6 0 7 4.8 COc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nn1 nan
53319708 57992 0 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 5.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682658 57992 0 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 5.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)CC1 10.1016/j.bmcl.2010.12.135
10173872 138744 0 None -5370 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 459 6 1 2 6.0 CC(=O)N[C@H]1C[C@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 10.1016/j.bmcl.2006.04.031
CHEMBL379073 138744 0 None -5370 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 459 6 1 2 6.0 CC(=O)N[C@H]1C[C@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 10.1016/j.bmcl.2006.04.031
10422 1604 28 None -8 2 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
117604931 1604 28 None -8 2 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
CHEMBL3608680 1604 28 None -8 2 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
DB15669 1604 28 None -8 2 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
71549914 160231 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 417 3 1 7 4.0 C[C@@H]1c2nnc(-c3cccc(O)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
CHEMBL4114218 160231 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 417 3 1 7 4.0 C[C@@H]1c2nnc(-c3cccc(O)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
71549769 118363 0 None -6 5 Rat 7.7 pKi = 7.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3422018 118363 0 None -6 5 Rat 7.7 pKi = 7.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
71549769 118363 0 None -6 5 Rat 7.7 pKi = 7.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422018 118363 0 None -6 5 Rat 7.7 pKi = 7.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
56592030 125298 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 503 7 0 4 5.8 CC(C)CN1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 nan
CHEMBL3648206 125298 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 503 7 0 4 5.8 CC(C)CN1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 nan
9809876 19202 1 None -1288 3 Human 6.7 pKi = 6.7 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 661 10 0 5 7.9 COc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm020094i
CHEMBL129321 19202 1 None -1288 3 Human 6.7 pKi = 6.7 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 661 10 0 5 7.9 COc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm020094i
10739572 161791 0 None - 1 Human 5.7 pKi = 5.7 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 397 5 1 5 3.9 COC(=O)C(NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL416487 161791 0 None - 1 Human 5.7 pKi = 5.7 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 397 5 1 5 3.9 COC(=O)C(NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549912 159438 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 409 3 0 5 4.5 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
CHEMBL4107668 159438 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 409 3 0 5 4.5 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
10422 1604 28 None 8 2 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
117604931 1604 28 None 8 2 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
CHEMBL3608680 1604 28 None 8 2 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
DB15669 1604 28 None 8 2 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
53319706 57976 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682642 57976 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53247478 159350 0 None - 1 Human 7.6 pKi = 7.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4106959 159350 0 None - 1 Human 7.6 pKi = 7.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
58312619 151106 0 None - 1 Human 7.6 pKi = 7.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 566 6 0 5 4.8 CCN(C(=O)Oc1ccccc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3963808 151106 0 None - 1 Human 7.6 pKi = 7.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 566 6 0 5 4.8 CCN(C(=O)Oc1ccccc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
44315573 103319 0 None -70 3 Human 6.6 pKi = 6.6 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 707 12 1 7 8.3 CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL308983 103319 0 None -70 3 Human 6.6 pKi = 6.6 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 707 12 1 7 8.3 CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
10788357 101485 0 None - 1 Human 6.6 pKi = 6.6 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 422 4 1 4 4.6 COC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2)c1ccccc1 10.1021/jm960818o
CHEMBL301278 101485 0 None - 1 Human 6.6 pKi = 6.6 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 422 4 1 4 4.6 COC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2)c1ccccc1 10.1021/jm960818o
86274727 160236 0 None 912 3 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1 nan
CHEMBL4114280 160236 0 None 912 3 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1 nan
53326884 57965 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 597 8 1 3 6.7 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682631 57965 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 597 8 1 3 6.7 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53317082 57973 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(Cl)c2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682639 57973 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(Cl)c2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
58046464 125287 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 456 5 0 5 4.8 Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cnn1 nan
CHEMBL3648196 125287 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 456 5 0 5 4.8 Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cnn1 nan
57415119 129924 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 564 5 0 5 5.7 Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nc1 nan
CHEMBL3680205 129924 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 564 5 0 5 5.7 Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nc1 nan
54579947 60283 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 424 4 1 4 4.5 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1(C)C 10.1016/j.bmcl.2011.02.033
CHEMBL1760204 60283 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 424 4 1 4 4.5 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1(C)C 10.1016/j.bmcl.2011.02.033
54586837 60339 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 439 6 2 5 2.6 NC(=O)COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760333 60339 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 439 6 2 5 2.6 NC(=O)COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
86274732 122479 0 None -7 3 Rat 6.6 pKi = 6.6 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608741 122479 0 None -7 3 Rat 6.6 pKi = 6.6 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 10.1021/acsmedchemlett.5b00117
58312655 159632 0 None - 1 Human 7.6 pKi = 7.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4109299 159632 0 None - 1 Human 7.6 pKi = 7.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
11794168 96711 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 3 5.0 CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL268042 96711 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 3 5.0 CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10422 1604 28 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
117604931 1604 28 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
CHEMBL3608680 1604 28 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
DB15669 1604 28 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
122187067 122471 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 370 3 0 7 2.8 CC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608683 122471 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 370 3 0 7 2.8 CC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
11794168 96711 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 5 1 3 5.0 CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL268042 96711 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 5 1 3 5.0 CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
71549767 118362 0 None 1 3 Rhesus macaque 7.6 pKi = 7.6 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422017 118362 0 None 1 3 Rhesus macaque 7.6 pKi = 7.6 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
67450880 118350 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 419 3 0 6 4.4 C[C@@H]1c2nnc(-c3csc(-c4ccccc4)n3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
CHEMBL3422006 118350 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 419 3 0 6 4.4 C[C@@H]1c2nnc(-c3csc(-c4ccccc4)n3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
71549767 118362 0 None -1 3 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422017 118362 0 None -1 3 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
90644635 112209 0 None -6 2 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 711 12 2 6 5.9 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288170 112209 0 None -6 2 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 711 12 2 6 5.9 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3304460 112209 0 None -6 2 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 711 12 2 6 5.9 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
20906619 60344 7 None -1 4 Rat 6.6 pKi = 6.6 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 396 4 1 4 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760338 60344 7 None -1 4 Rat 6.6 pKi = 6.6 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 396 4 1 4 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
20906619 60344 7 None 1 4 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 396 4 1 4 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760338 60344 7 None 1 4 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 396 4 1 4 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54584909 60341 0 None - 1 Human 5.6 pKi = 5.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760335 60341 0 None - 1 Human 5.6 pKi = 5.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
44570897 191356 0 None - 1 Human 6.6 pKi = 6.6 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL520086 191356 0 None - 1 Human 6.6 pKi = 6.6 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
2849628 97840 8 None - 1 Human 6.6 pKi = 6.6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL274763 97840 8 None - 1 Human 6.6 pKi = 6.6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
2849628 97840 8 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL274763 97840 8 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
90644612 112223 0 None -3 2 Human 5.6 pKi = 5.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 669 10 2 6 5.5 CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288157 112223 0 None -3 2 Human 5.6 pKi = 5.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 669 10 2 6 5.5 CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3304538 112223 0 None -3 2 Human 5.6 pKi = 5.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 669 10 2 6 5.5 CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
2132 3687 48 None 1 6 Human 6.6 pKi = 6.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm980633c
5311424 3687 48 None 1 6 Human 6.6 pKi = 6.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm980633c
CHEMBL10188 3687 48 None 1 6 Human 6.6 pKi = 6.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm980633c
10113552 101244 0 None - 1 Human 5.6 pKi = 5.6 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 430 5 1 4 5.2 COC(=O)C(NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL299518 101244 0 None - 1 Human 5.6 pKi = 5.6 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 430 5 1 4 5.2 COC(=O)C(NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549218 159378 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 415 3 0 6 4.6 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
CHEMBL4107180 159378 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 415 3 0 6 4.6 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
86275688 147775 0 None 794 3 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3C)n1 nan
CHEMBL3936869 147775 0 None 794 3 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3C)n1 nan
86274729 160366 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H]3C)n1 nan
CHEMBL4115295 160366 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H]3C)n1 nan
86274728 160409 0 None 1380 2 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)[C@@H]3C)n1 nan
CHEMBL4115594 160409 0 None 1380 2 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)[C@@H]3C)n1 nan
10763631 193088 0 None - 1 Human 7.6 pKi = 7.6 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccsc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL53765 193088 0 None - 1 Human 7.6 pKi = 7.6 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccsc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
56592117 125309 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 522 6 0 6 6.1 Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)no1 nan
CHEMBL3648217 125309 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 522 6 0 6 6.1 Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)no1 nan
54583921 60291 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 430 4 1 4 4.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760213 60291 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 430 4 1 4 4.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
2849628 97840 8 None - 1 Human 6.6 pKi = 6.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL274763 97840 8 None - 1 Human 6.6 pKi = 6.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
53246744 153057 0 None - 1 Human 6.6 pKi = 6.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 491 5 1 4 4.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCNCC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3980572 153057 0 None - 1 Human 6.6 pKi = 6.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 491 5 1 4 4.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCNCC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
56592115 125308 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 592 6 0 5 6.7 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648216 125308 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 592 6 0 5 6.7 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
11794168 96711 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 3 5.0 CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL268042 96711 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 3 5.0 CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
53321640 57987 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 538 8 1 4 4.7 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C#N)cc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682653 57987 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 538 8 1 4 4.7 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C#N)cc2)CC1 10.1016/j.bmcl.2010.12.135
57414758 129916 0 None - 1 Human 6.6 pKi = 6.6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 563 5 0 4 6.1 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680197 129916 0 None - 1 Human 6.6 pKi = 6.6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 563 5 0 4 6.1 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
53247233 148726 0 None - 1 Human 6.6 pKi = 6.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 617 7 0 4 6.6 CC(C)CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3944417 148726 0 None - 1 Human 6.6 pKi = 6.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 617 7 0 4 6.6 CC(C)CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
86272100 151238 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3964898 151238 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
53321639 57972 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 609 9 1 4 6.8 CSc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 10.1016/j.bmcl.2010.12.135
CHEMBL1682638 57972 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 609 9 1 4 6.8 CSc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 10.1016/j.bmcl.2010.12.135
44315590 167245 0 None -93 3 Human 6.6 pKi = 6.6 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 774 14 1 8 7.5 CCNC(=O)Cn1c(=O)n(C2CCN(CC[C@@H](/C(CN(CC)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 10.1016/s0960-894x(02)00462-6
CHEMBL430609 167245 0 None -93 3 Human 6.6 pKi = 6.6 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 774 14 1 8 7.5 CCNC(=O)Cn1c(=O)n(C2CCN(CC[C@@H](/C(CN(CC)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 10.1016/s0960-894x(02)00462-6
71549767 118362 0 None -1 3 Human 7.5 pKi = 7.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422017 118362 0 None -1 3 Human 7.5 pKi = 7.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
44315576 203534 0 None -22 3 Human 7.5 pKi = 7.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 747 12 0 9 7.2 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)OC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL78851 203534 0 None -22 3 Human 7.5 pKi = 7.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 747 12 0 9 7.2 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)OC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
53247484 153092 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 569 6 0 5 4.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3980824 153092 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 569 6 0 5 4.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
46889692 6850 0 None -12 2 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 613 6 1 4 7.7 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084435 6850 0 None -12 2 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 613 6 1 4 7.7 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
46889697 6853 0 None -32 2 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 643 8 0 5 7.6 COC[C@@H]1C[C@@H](OC)CN1c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
CHEMBL1084438 6853 0 None -32 2 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 643 8 0 5 7.6 COC[C@@H]1C[C@@H](OC)CN1c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
53247607 152916 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 571 6 0 5 4.6 CCN(C(=O)Oc1ccccc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3979381 152916 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 571 6 0 5 4.6 CCN(C(=O)Oc1ccccc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
44266632 4142 0 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 400 5 1 2 6.4 CC[C@@H](NC(=O)c1c(Cl)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10020 4142 0 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 400 5 1 2 6.4 CC[C@@H](NC(=O)c1c(Cl)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
54579948 60295 0 None - 1 Human 5.5 pKi = 5.5 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 368 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760217 60295 0 None - 1 Human 5.5 pKi = 5.5 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 368 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
10595071 4993 0 None - 1 Human 6.5 pKi = 6.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 4 1 2 5.6 CC(C)(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10536 4993 0 None - 1 Human 6.5 pKi = 6.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 4 1 2 5.6 CC(C)(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
52940879 18144 0 None -489 2 Human 6.5 pKi = 6.5 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 563 6 2 3 4.8 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)NCCO)C[C@@H]1c1ccc(F)cc1 10.1016/j.bmcl.2010.08.138
CHEMBL1270786 18144 0 None -489 2 Human 6.5 pKi = 6.5 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 563 6 2 3 4.8 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)NCCO)C[C@@H]1c1ccc(F)cc1 10.1016/j.bmcl.2010.08.138
57414624 129912 0 None - 1 Human 6.5 pKi = 6.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 560 5 0 3 7.4 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680193 129912 0 None - 1 Human 6.5 pKi = 6.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 560 5 0 3 7.4 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
90417914 118360 0 None 2 5 Human 8.5 pKi = 8.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
CHEMBL3422015 118360 0 None 2 5 Human 8.5 pKi = 8.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
71549770 159886 0 None - 1 Human 8.5 pKi = 8.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 450 4 0 8 4.9 CC(C)c1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL4111525 159886 0 None - 1 Human 8.5 pKi = 8.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 450 4 0 8 4.9 CC(C)c1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
2132 3687 48 None 1 6 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
5311424 3687 48 None 1 6 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL10188 3687 48 None 1 6 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
53246504 143604 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 6 0 6 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3903836 143604 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 6 0 6 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247602 143726 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 592 7 0 6 5.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3904868 143726 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 592 7 0 6 5.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53247238 144379 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 631 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOC(C)(C)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3910204 144379 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 631 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOC(C)(C)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
58312683 146296 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 5 4.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3924945 146296 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 5 4.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53245783 148591 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 618 6 0 5 6.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3943287 148591 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 618 6 0 5 6.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53247362 150215 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 614 6 0 5 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3956386 150215 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 614 6 0 5 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
25222441 195465 0 None 1 4 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567849 195465 0 None 1 4 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
44570898 182682 0 None - 1 Human 8.5 pKi = 8.5 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL479652 182682 0 None - 1 Human 8.5 pKi = 8.5 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1 10.1016/j.bmcl.2008.12.005
71549769 118363 0 None 1 5 Human 8.5 pKi = 8.5 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3422018 118363 0 None 1 5 Human 8.5 pKi = 8.5 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
52943534 18595 0 None - 1 Human 8.5 pKi = 8.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1cccc(F)c1)C1CC1 10.1021/jm1010012
CHEMBL1278058 18595 0 None - 1 Human 8.5 pKi = 8.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1cccc(F)c1)C1CC1 10.1021/jm1010012
108147 3526 29 None -2 3 Human 8.5 pKi = 8.5 Binding
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL None None None None 10.1021/jm5017413
2127 3526 29 None -2 3 Human 8.5 pKi = 8.5 Binding
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL None None None None 10.1021/jm5017413
CHEMBL106124 3526 29 None -2 3 Human 8.5 pKi = 8.5 Binding
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL None None None None 10.1021/jm5017413
90417914 118360 0 None 2 5 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
CHEMBL3422015 118360 0 None 2 5 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
71549769 118363 0 None 1 5 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422018 118363 0 None 1 5 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
44315299 203302 0 None -2 3 Human 8.5 pKi = 8.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 737 12 0 6 8.4 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccsc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL76823 203302 0 None -2 3 Human 8.5 pKi = 8.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 737 12 0 6 8.4 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccsc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
10717843 100635 0 None 15 2 Human 8.5 pKi = 8.5 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 437 7 1 3 6.1 CC(C)[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL295059 100635 0 None 15 2 Human 8.5 pKi = 8.5 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 437 7 1 3 6.1 CC(C)[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
53318389 58008 0 None - 1 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 576 8 0 5 3.5 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCOCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682674 58008 0 None - 1 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 576 8 0 5 3.5 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCOCC2)CC1 10.1016/j.bmcl.2010.12.135
53245910 147221 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 586 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
CHEMBL3932428 147221 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 586 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
58312629 153670 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 573 6 0 4 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3985905 153670 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 573 6 0 4 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
9825316 178928 0 None -1 3 Human 8.5 pKi = 8.5 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 456 6 2 4 5.0 C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
CHEMBL47412 178928 0 None -1 3 Human 8.5 pKi = 8.5 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 456 6 2 4 5.0 C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
44241710 83118 0 None -3 2 Human 8.5 pKi = 8.5 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 83118 0 None -3 2 Human 8.5 pKi = 8.5 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
58312653 145525 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 4 5.2 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(F)F)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3918999 145525 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 4 5.2 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(F)F)CC2)C[C@H]1c1ccc(Cl)cc1 nan
25222441 195465 0 None -1 4 Guinea pig 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567849 195465 0 None -1 4 Guinea pig 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
71455736 83124 0 None -6 2 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203709 83124 0 None -6 2 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
53318388 58006 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 606 8 1 4 4.8 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(c2ccccc2)(N(C)C(=O)C(N)=O)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682672 58006 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 606 8 1 4 4.8 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(c2ccccc2)(N(C)C(=O)C(N)=O)CC1 10.1016/j.bmcl.2010.12.135
2132 3687 48 None 1 6 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 3687 48 None 1 6 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 3687 48 None 1 6 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
58312645 143765 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 569 6 0 4 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(C)C)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3905215 143765 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 569 6 0 4 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(C)C)CC2)C[C@H]1c1ccc(Cl)cc1 nan
56591854 125302 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 549 6 0 6 5.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648210 125302 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 549 6 0 6 5.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
53323714 58009 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 562 9 0 5 4.0 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(CCN2CCOCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682675 58009 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 562 9 0 5 4.0 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(CCN2CCOCC2)CC1 10.1016/j.bmcl.2010.12.135
2132 3687 48 None 1 6 Human 8.4 pKi = 8.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 3687 48 None 1 6 Human 8.4 pKi = 8.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 3687 48 None 1 6 Human 8.4 pKi = 8.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
53245912 149604 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 636 6 0 5 6.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
CHEMBL3951326 149604 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 636 6 0 5 6.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
2131 3443 63 None 34 2 Human 8.4 pKi = 8.4 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.ejmech.2013.01.044
6604009 3443 63 None 34 2 Human 8.4 pKi = 8.4 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.ejmech.2013.01.044
CHEMBL10284 3443 63 None 34 2 Human 8.4 pKi = 8.4 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.ejmech.2013.01.044
57414487 129906 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 574 5 0 5 6.1 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680187 129906 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 574 5 0 5 6.1 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
2132 3687 48 None -1 6 Guinea pig 8.4 pKi = 8.4 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
5311424 3687 48 None -1 6 Guinea pig 8.4 pKi = 8.4 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL10188 3687 48 None -1 6 Guinea pig 8.4 pKi = 8.4 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
53247606 142538 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 626 7 1 6 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)(C)O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3895212 142538 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 626 7 1 6 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)(C)O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
44241710 83118 0 None -3 2 Human 8.4 pKi = 8.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 83118 0 None -3 2 Human 8.4 pKi = 8.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
10000989 189227 0 None - 1 Human 8.4 pKi = 8.4 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 399 5 2 3 5.5 CC[C@H](NC(=O)c1c(N)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
CHEMBL516441 189227 0 None - 1 Human 8.4 pKi = 8.4 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 399 5 2 3 5.5 CC[C@H](NC(=O)c1c(N)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
44215995 18569 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 399 5 2 3 5.5 CCC(NC(=O)c1c(N)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL1277889 18569 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 399 5 2 3 5.5 CCC(NC(=O)c1c(N)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
53472113 118353 0 None -1 5 Rhesus macaque 8.4 pKi = 8.4 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422009 118353 0 None -1 5 Rhesus macaque 8.4 pKi = 8.4 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
86274730 159946 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)[C@@H]3C)n1 nan
CHEMBL4112037 159946 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)[C@@H]3C)n1 nan
44266639 206661 0 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 384 5 1 2 5.9 CC[C@@H](NC(=O)c1c(F)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL9971 206661 0 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 384 5 1 2 5.9 CC[C@@H](NC(=O)c1c(F)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
4529080 166932 6 None 93 2 Human 7.5 pKi = 7.5 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm9602423
CHEMBL429951 166932 6 None 93 2 Human 7.5 pKi = 7.5 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm9602423
44315421 105248 0 None -251 3 Human 6.5 pKi = 6.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 765 14 1 8 7.4 CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL312612 105248 0 None -251 3 Human 6.5 pKi = 6.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 765 14 1 8 7.4 CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
4529080 166932 6 None 93 2 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL429951 166932 6 None 93 2 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
86274731 160126 0 None 1584 2 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)n1 nan
CHEMBL4113428 160126 0 None 1584 2 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)n1 nan
4529080 166932 6 None 93 2 Human 7.5 pKi = 7.5 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL429951 166932 6 None 93 2 Human 7.5 pKi = 7.5 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
10552329 167481 0 None 1 3 Human 7.5 pKi = 7.5 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 470 6 2 4 5.5 C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
CHEMBL432301 167481 0 None 1 3 Human 7.5 pKi = 7.5 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 470 6 2 4 5.5 C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
67239132 151017 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 547 6 0 4 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCC(=O)N(C(C)C)C2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3963081 151017 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 547 6 0 4 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCC(=O)N(C(C)C)C2)C[C@H]1c1ccc(Cl)c(F)c1 nan
2932589 4371 11 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 366 5 1 2 5.8 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL10160 4371 11 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 366 5 1 2 5.8 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
4529080 166932 6 None 93 2 Human 7.5 pKi = 7.5 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL429951 166932 6 None 93 2 Human 7.5 pKi = 7.5 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
86274732 122479 0 None 7 3 Human 7.5 pKi = 7.5 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608741 122479 0 None 7 3 Human 7.5 pKi = 7.5 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 10.1021/acsmedchemlett.5b00117
2932589 4371 11 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 366 5 1 2 5.8 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL10160 4371 11 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 366 5 1 2 5.8 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
4529080 166932 6 None 93 2 Human 7.5 pKi = 7.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL429951 166932 6 None 93 2 Human 7.5 pKi = 7.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
90417914 118360 0 None -10 5 Rat 7.5 pKi = 7.5 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
CHEMBL3422015 118360 0 None -10 5 Rat 7.5 pKi = 7.5 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
90644629 111168 0 None 1 2 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 711 12 2 6 5.8 CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
CHEMBL3286415 111168 0 None 1 2 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 711 12 2 6 5.8 CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
57414759 129917 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 5.1 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680198 129917 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 5.1 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
54586802 60287 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 446 5 1 5 3.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760209 60287 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 446 5 1 5 3.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
44315231 104920 0 None -114 3 Human 6.5 pKi = 6.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 780 13 0 8 8.8 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(Cc3ccccn3)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL311712 104920 0 None -114 3 Human 6.5 pKi = 6.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 780 13 0 8 8.8 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(Cc3ccccn3)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
10571967 97823 0 None - 1 Human 6.5 pKi = 6.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 6 1 3 5.0 COCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL274628 97823 0 None - 1 Human 6.5 pKi = 6.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 6 1 3 5.0 COCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
90417750 118356 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@H]3C)cs1 10.1021/jm5017413
CHEMBL3422011 118356 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@H]3C)cs1 10.1021/jm5017413
3628880 4464 1 None - 1 Human 5.5 pKi = 5.5 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 428 6 1 2 6.6 O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
CHEMBL10231 4464 1 None - 1 Human 5.5 pKi = 5.5 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 428 6 1 2 6.6 O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
3628880 4464 1 None - 1 Human 5.5 pKi = 5.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 428 6 1 2 6.6 O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
CHEMBL10231 4464 1 None - 1 Human 5.5 pKi = 5.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 428 6 1 2 6.6 O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
71549634 159720 0 None - 1 Human 7.5 pKi = 7.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)c(C)s1 nan
CHEMBL4110178 159720 0 None - 1 Human 7.5 pKi = 7.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)c(C)s1 nan
86274732 122479 0 None 7 3 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 nan
CHEMBL3608741 122479 0 None 7 3 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 nan
90417914 118360 0 None -10 5 Rat 7.5 pKi = 7.5 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
CHEMBL3422015 118360 0 None -10 5 Rat 7.5 pKi = 7.5 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
53323701 57979 0 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 623 10 1 5 6.1 COc1cc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc(OC)c1 10.1016/j.bmcl.2010.12.135
CHEMBL1682645 57979 0 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 623 10 1 5 6.1 COc1cc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc(OC)c1 10.1016/j.bmcl.2010.12.135
53323703 57989 0 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 547 8 1 3 5.5 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682655 57989 0 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 547 8 1 3 5.5 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
67237922 145661 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 598 6 1 5 4.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)NC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3920077 145661 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 598 6 1 5 4.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)NC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53319705 57966 0 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 593 9 1 4 6.0 COc1cccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1 10.1016/j.bmcl.2010.12.135
CHEMBL1682632 57966 0 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 593 9 1 4 6.0 COc1cccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1 10.1016/j.bmcl.2010.12.135
2932589 4371 11 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 5 1 2 5.8 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10160 4371 11 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 5 1 2 5.8 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
51351504 60285 1 None -9 4 Rat 5.5 pKi = 5.5 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760206 60285 1 None -9 4 Rat 5.5 pKi = 5.5 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
57414883 129923 0 None - 1 Human 6.5 pKi = 6.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 474 4 0 4 4.5 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680204 129923 0 None - 1 Human 6.5 pKi = 6.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 474 4 0 4 4.5 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
53246151 153153 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 604 7 0 6 6.0 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)nc1 nan
CHEMBL3981375 153153 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 604 7 0 6 6.0 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)nc1 nan
56591853 125292 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 507 6 0 6 5.3 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648200 125292 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 507 6 0 6 5.3 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H]1c1ccc(Cl)cc1 nan
57414625 129913 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 548 5 0 6 6.0 Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)cc2)no1 nan
CHEMBL3680194 129913 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 548 5 0 6 6.0 Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)cc2)no1 nan
54584865 60286 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 409 4 1 3 4.6 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]c2C)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760207 60286 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 409 4 1 3 4.6 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]c2C)CC1 10.1016/j.bmcl.2011.02.033
53326275 57985 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 543 9 1 4 4.9 COc1ccc([C@]2(C(=O)N(C)Cc3ccc(F)cc3)C[C@H]2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 10.1016/j.bmcl.2010.12.135
CHEMBL1682651 57985 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 543 9 1 4 4.9 COc1ccc([C@]2(C(=O)N(C)Cc3ccc(F)cc3)C[C@H]2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 10.1016/j.bmcl.2010.12.135
3628880 4464 1 None - 1 Human 5.5 pKi = 5.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 428 6 1 2 6.6 O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL10231 4464 1 None - 1 Human 5.5 pKi = 5.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 428 6 1 2 6.6 O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
667698 188858 12 None - 1 Human 6.5 pKi = 6.5 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 338 4 1 2 4.8 O=C(NCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm960818o
CHEMBL51352 188858 12 None - 1 Human 6.5 pKi = 6.5 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 338 4 1 2 4.8 O=C(NCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm960818o
71549498 148201 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 413 4 0 6 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)cs1 nan
CHEMBL3940252 148201 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 413 4 0 6 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)cs1 nan
11526802 57983 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 547 8 1 3 5.5 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682649 57983 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 547 8 1 3 5.5 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 10.1016/j.bmcl.2010.12.135
53247477 159490 0 None - 1 Human 7.4 pKi = 7.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4108131 159490 0 None - 1 Human 7.4 pKi = 7.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
54580930 60292 0 None - 1 Human 5.4 pKi = 5.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760214 60292 0 None - 1 Human 5.4 pKi = 5.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
53324974 57984 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 527 8 1 3 5.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)cc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682650 57984 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 527 8 1 3 5.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)cc2)CC1 10.1016/j.bmcl.2010.12.135
10837046 79062 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 444 5 1 2 6.5 CC[C@H](NC(=O)c1c(Br)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113684 79062 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 444 5 1 2 6.5 CC[C@H](NC(=O)c1c(Br)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
2132 3687 48 None 1 6 Human 7.4 pKi = 7.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 3687 48 None 1 6 Human 7.4 pKi = 7.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 3687 48 None 1 6 Human 7.4 pKi = 7.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
51351504 60285 1 None 4 4 Human 6.4 pKi = 6.4 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760206 60285 1 None 4 4 Human 6.4 pKi = 6.4 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
54579946 60281 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](C)C1 10.1016/j.bmcl.2011.02.033
CHEMBL1760202 60281 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](C)C1 10.1016/j.bmcl.2011.02.033
51351504 60285 1 None 4 4 Human 6.4 pKi = 6.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760206 60285 1 None 4 4 Human 6.4 pKi = 6.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
52943089 17976 0 None -263 2 Human 6.4 pKi = 6.4 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 630 4 0 3 5.4 CC(=O)N1CCN(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](N(C)C(=O)C(C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 10.1016/j.bmcl.2010.08.138
CHEMBL1269639 17976 0 None -263 2 Human 6.4 pKi = 6.4 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 630 4 0 3 5.4 CC(=O)N1CCN(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](N(C)C(=O)C(C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 10.1016/j.bmcl.2010.08.138
51351496 60284 7 None -6 4 Rat 5.4 pKi = 5.4 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760205 60284 7 None -6 4 Rat 5.4 pKi = 5.4 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
10160182 193084 0 None - 1 Human 6.4 pKi = 6.4 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 436 5 1 5 5.3 COC(=O)C(NC(=O)c1cc(-c2cc3ccccc3o2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL53719 193084 0 None - 1 Human 6.4 pKi = 6.4 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 436 5 1 5 5.3 COC(=O)C(NC(=O)c1cc(-c2cc3ccccc3o2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549639 149747 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 401 3 0 6 4.0 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)n1 nan
CHEMBL3952660 149747 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 401 3 0 6 4.0 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)n1 nan
86275684 152965 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)C3C)n1 nan
CHEMBL3979723 152965 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)C3C)n1 nan
10194796 191259 0 None -6309 2 Human 5.4 pKi = 5.4 Binding
Displacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 431 5 1 2 5.6 C[C@@H](OC[C@@]1(c2ccccc2)CCC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2008.05.082
CHEMBL519914 191259 0 None -6309 2 Human 5.4 pKi = 5.4 Binding
Displacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 431 5 1 2 5.6 C[C@@H](OC[C@@]1(c2ccccc2)CCC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2008.05.082
10714925 97859 0 None - 1 Human 6.4 pKi = 6.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 6 2 3 4.8 O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL274869 97859 0 None - 1 Human 6.4 pKi = 6.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 6 2 3 4.8 O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
58046459 125307 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 466 5 0 5 5.0 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648215 125307 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 466 5 0 5 5.0 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1 nan
9961315 117421 0 None -275 3 Human 7.4 pKi = 7.4 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 661 10 0 5 7.9 COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(C#N)cc4ccccc34)c3ccc(Cl)c(Cl)c3)CC2)c([S@+](C)[O-])c1 10.1021/jm020094i
CHEMBL340326 117421 0 None -275 3 Human 7.4 pKi = 7.4 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 661 10 0 5 7.9 COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(C#N)cc4ccccc34)c3ccc(Cl)c(Cl)c3)CC2)c([S@+](C)[O-])c1 10.1021/jm020094i
57414762 123925 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 543 5 0 4 5.0 CC(C)C(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1 nan
CHEMBL3639790 123925 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 543 5 0 4 5.0 CC(C)C(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1 nan
90644624 112264 0 None 6 2 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 669 10 3 6 5.3 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288163 112264 0 None 6 2 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 669 10 3 6 5.3 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305323 112264 0 None 6 2 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 669 10 3 6 5.3 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
10619783 4614 0 None 5 2 Human 6.4 pKi = 6.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.1 CC[C@@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10334 4614 0 None 5 2 Human 6.4 pKi = 6.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.1 CC[C@@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10714925 97859 0 None - 1 Human 6.4 pKi = 6.4 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 382 6 2 3 4.8 O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
CHEMBL274869 97859 0 None - 1 Human 6.4 pKi = 6.4 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 382 6 2 3 4.8 O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
10714925 97859 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 382 6 2 3 4.8 O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
CHEMBL274869 97859 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 382 6 2 3 4.8 O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
71225056 118348 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 391 2 0 5 3.2 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(C(F)(F)F)n2)C1 10.1021/jm5017413
CHEMBL3422004 118348 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 391 2 0 5 3.2 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(C(F)(F)F)n2)C1 10.1021/jm5017413
24851680 104129 0 None - 1 Human 5.4 pKi = 5.4 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 617 7 0 4 7.5 CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1016/j.bmcl.2013.12.033
CHEMBL3104783 104129 0 None - 1 Human 5.4 pKi = 5.4 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 617 7 0 4 7.5 CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1016/j.bmcl.2013.12.033
90644608 112210 0 None -79 2 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 2 6 5.7 CN1C(=O)OC2(CCN(CCC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288155 112210 0 None -79 2 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 2 6 5.7 CN1C(=O)OC2(CCN(CCC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3304468 112210 0 None -79 2 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 2 6 5.7 CN1C(=O)OC2(CCN(CCC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
44301859 198130 0 None -35481 2 Guinea pig 4.4 pKi = 4.4 Binding
Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranesTested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranes
ChEMBL 400 6 2 3 3.5 [O-][S@+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 10.1016/S0960-894X(01)80541-2
CHEMBL59413 198130 0 None -35481 2 Guinea pig 4.4 pKi = 4.4 Binding
Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranesTested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranes
ChEMBL 400 6 2 3 3.5 [O-][S@+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 10.1016/S0960-894X(01)80541-2
71549361 159833 0 None - 1 Human 8.4 pKi = 8.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 433 4 0 7 5.0 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
CHEMBL4111118 159833 0 None - 1 Human 8.4 pKi = 8.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 433 4 0 7 5.0 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
53246272 141957 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 559 6 0 6 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
CHEMBL3890471 141957 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 559 6 0 6 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
53247236 142871 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 627 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3897973 142871 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 627 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247235 146419 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 595 6 0 4 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(F)F)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3926047 146419 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 595 6 0 4 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(F)F)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53246989 151509 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 7 0 6 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3967237 151509 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 7 0 6 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53247364 151542 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 613 6 0 4 6.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3967469 151542 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 613 6 0 4 6.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53246386 152397 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 591 5 0 5 6.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3974945 152397 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 591 5 0 5 6.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
2131 3443 63 None 34 2 Human 8.4 pKi = 8.4 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
6604009 3443 63 None 34 2 Human 8.4 pKi = 8.4 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
CHEMBL10284 3443 63 None 34 2 Human 8.4 pKi = 8.4 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
11685645 58000 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 577 8 0 3 6.4 CC(=O)N(C)C1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682666 58000 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 577 8 0 3 6.4 CC(=O)N(C)C1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
56592113 125293 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 522 6 0 6 6.1 Cc1noc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)n1 nan
CHEMBL3648201 125293 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 522 6 0 6 6.1 Cc1noc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)n1 nan
56591855 125310 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 549 6 0 6 5.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648218 125310 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 549 6 0 6 5.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
58312644 149037 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 585 6 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOCC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3946816 149037 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 585 6 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOCC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
57414488 129907 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 592 6 0 6 5.8 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nc1 nan
CHEMBL3680188 129907 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 592 6 0 6 5.8 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nc1 nan
10718673 178528 0 None 1 2 Human 8.3 pKi = 8.3 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 457 6 1 4 5.4 C[C@H](NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
CHEMBL47179 178528 0 None 1 2 Human 8.3 pKi = 8.3 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 457 6 1 4 5.4 C[C@H](NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
53324972 57971 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682637 57971 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
10764865 79057 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 425 8 2 4 5.1 CC[C@H](NC(=O)c1c(OCCN)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113679 79057 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 425 8 2 4 5.1 CC[C@H](NC(=O)c1c(OCCN)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10600223 178888 0 None 4 3 Human 8.3 pKi = 8.3 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 464 7 2 4 5.2 CC[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL47408 178888 0 None 4 3 Human 8.3 pKi = 8.3 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 464 7 2 4 5.2 CC[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
53246036 144179 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 7 1 6 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3908670 144179 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 7 1 6 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
67238115 148445 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 585 8 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(COC)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3942210 148445 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 585 8 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(COC)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
58312622 150806 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 613 6 0 5 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOC(C)(C)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3961077 150806 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 613 6 0 5 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOC(C)(C)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
2110 2922 33 None -3 6 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 2922 33 None -3 6 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 2922 33 None -3 6 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 2922 33 None -3 6 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 2922 33 None -3 6 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
58312668 147884 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 584 6 0 5 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3937693 147884 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 584 6 0 5 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
86274961 159731 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL4110286 159731 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
53324975 57990 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 527 8 1 3 5.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682656 57990 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 527 8 1 3 5.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C)c2)CC1 10.1016/j.bmcl.2010.12.135
54580975 60337 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 430 4 1 4 4.4 COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760331 60337 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 430 4 1 4 4.4 COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54583959 60345 0 None -8 4 Rat 5.4 pKi = 5.4 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 410 5 1 4 3.7 COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760339 60345 0 None -8 4 Rat 5.4 pKi = 5.4 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 410 5 1 4 3.7 COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
10216430 79495 0 None -204173 2 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 417 5 1 2 5.9 C[C@@H](OCC1(c2ccccc2)CC(N)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2006.04.031
CHEMBL212428 79495 0 None -204173 2 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 417 5 1 2 5.9 C[C@@H](OCC1(c2ccccc2)CC(N)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2006.04.031
86275687 143109 0 None 776 2 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)C3C)n1 nan
CHEMBL3899877 143109 0 None 776 2 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)C3C)n1 nan
71549502 145357 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 419 4 0 7 4.4 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)co1 nan
CHEMBL3917687 145357 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 419 4 0 7 4.4 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)co1 nan
86274962 152694 3 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3977343 152694 3 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
58312624 147334 0 None - 1 Human 7.4 pKi = 7.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 646 6 0 5 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3933229 147334 0 None - 1 Human 7.4 pKi = 7.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 646 6 0 5 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
10548730 96713 0 None - 1 Human 6.4 pKi = 6.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 395 5 2 3 4.1 CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL268046 96713 0 None - 1 Human 6.4 pKi = 6.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 395 5 2 3 4.1 CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
86275686 146633 0 None 851 2 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)C3C)n1 nan
CHEMBL3927872 146633 0 None 851 2 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)C3C)n1 nan
57414761 129919 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 568 5 0 5 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680200 129919 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 568 5 0 5 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
71549500 159541 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 405 3 0 7 4.2 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
CHEMBL4108578 159541 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 405 3 0 7 4.2 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
86274963 159908 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(F)c2)[C@@H]3C)n1 nan
CHEMBL4111714 159908 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(F)c2)[C@@H]3C)n1 nan
86272105 160150 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 410 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(CC(F)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4113569 160150 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 410 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(CC(F)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
56591759 125294 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 465 5 0 4 5.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648202 125294 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 465 5 0 4 5.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
10813099 97915 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 442 6 1 2 7.5 CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL275259 97915 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 442 6 1 2 7.5 CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
53482945 118334 0 None - 1 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421983 118334 0 None - 1 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
10179473 97930 0 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 406 4 1 2 5.9 O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL275316 97930 0 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 406 4 1 2 5.9 O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
9828448 100772 0 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 458 7 1 4 5.2 CC(C)C(C)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 10.1021/jm000501v
CHEMBL296122 100772 0 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 458 7 1 4 5.2 CC(C)C(C)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 10.1021/jm000501v
135413536 444 80 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C 10.1021/jm2017072
230 444 80 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C 10.1021/jm2017072
3490 444 80 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C 10.1021/jm2017072
6918365 444 80 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C 10.1021/jm2017072
CHEMBL1471 444 80 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C 10.1021/jm2017072
DB00673 444 80 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C 10.1021/jm2017072
53247232 148156 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 603 6 0 4 6.4 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3939920 148156 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 603 6 0 4 6.4 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
53246029 151611 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 590 6 0 7 5.3 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3968022 151611 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 590 6 0 7 5.3 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53318371 57994 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 549 8 1 3 5.1 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)c(F)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682660 57994 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 549 8 1 3 5.1 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)c(F)c2)CC1 10.1016/j.bmcl.2010.12.135
53246030 147990 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 590 6 0 7 5.3 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3938471 147990 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 590 6 0 7 5.3 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
9970049 98085 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 6 1 2 6.2 CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL276386 98085 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 6 1 2 6.2 CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
56591758 125288 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 526 5 0 5 3.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648197 125288 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 526 5 0 5 3.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
86272103 160048 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 3 0 7 3.1 C[C@@H]1c2nnc(-c3nc(C(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4112806 160048 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 3 0 7 3.1 C[C@@H]1c2nnc(-c3nc(C(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
53246154 153578 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 588 6 0 7 5.0 N#Cc1cnc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)cn1 nan
CHEMBL3985128 153578 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 588 6 0 7 5.0 N#Cc1cnc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)cn1 nan
10225028 4613 0 None - 1 Human 5.3 pKi = 5.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 436 10 1 2 7.7 CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10333 4613 0 None - 1 Human 5.3 pKi = 5.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 436 10 1 2 7.7 CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10621487 206637 1 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 409 5 1 3 4.5 CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL9955 206637 1 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 409 5 1 3 4.5 CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
86274964 159800 0 None 758 2 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2)[C@@H]3C)n1 nan
CHEMBL4110770 159800 0 None 758 2 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2)[C@@H]3C)n1 nan
10249483 161675 0 None - 1 Human 7.3 pKi = 7.3 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 385 5 2 4 3.9 COC(=O)C(NC(=O)c1cc(-c2ccc[nH]2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL416309 161675 0 None - 1 Human 7.3 pKi = 7.3 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 385 5 2 4 3.9 COC(=O)C(NC(=O)c1cc(-c2ccc[nH]2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
54583959 60345 0 None 3 4 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 5 1 4 3.7 COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760339 60345 0 None 3 4 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 5 1 4 3.7 COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
135406470 192755 0 None - 1 Human 6.3 pKi = 6.3 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 5 2 5 4.3 COC(=O)C(NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL52496 192755 0 None - 1 Human 6.3 pKi = 6.3 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 5 2 5 4.3 COC(=O)C(NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549219 159971 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 4 0 7 4.9 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
CHEMBL4112270 159971 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 4 0 7 4.9 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
44305818 14626 0 None -1 4 Rat 8.3 pKi = 8.3 Binding
Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 698 13 3 8 4.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 10.1016/S0960-894X(96)00604-X
CHEMBL1206764 14626 0 None -1 4 Rat 8.3 pKi = 8.3 Binding
Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 698 13 3 8 4.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 10.1016/S0960-894X(96)00604-X
CHEMBL305119 14626 0 None -1 4 Rat 8.3 pKi = 8.3 Binding
Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 698 13 3 8 4.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 10.1016/S0960-894X(96)00604-X
57414356 129903 0 None - 1 Human 8.3 pKi = 8.3 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680184 129903 0 None - 1 Human 8.3 pKi = 8.3 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
2132 3687 48 None -1 6 Guinea pig 8.3 pKi = 8.3 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
5311424 3687 48 None -1 6 Guinea pig 8.3 pKi = 8.3 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL10188 3687 48 None -1 6 Guinea pig 8.3 pKi = 8.3 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
53247480 148584 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 665 6 0 6 5.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3cnc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3943234 148584 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 665 6 0 6 5.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3cnc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53246992 149360 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 630 7 0 7 4.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3949250 149360 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 630 7 0 7 4.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53246865 152130 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 578 6 0 7 4.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3972535 152130 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 578 6 0 7 4.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53246619 152554 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 586 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3976147 152554 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 586 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
44570859 189754 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 393 5 2 3 5.4 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL517689 189754 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 393 5 2 3 5.4 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
44570899 189757 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1F)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL517691 189757 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1F)C1CC1 10.1016/j.bmcl.2008.12.005
52942335 18580 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 393 5 2 3 5.4 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1 10.1021/jm1010012
CHEMBL1277971 18580 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 393 5 2 3 5.4 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1 10.1021/jm1010012
52948404 18596 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1F)C1CC1 10.1021/jm1010012
CHEMBL1278059 18596 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1F)C1CC1 10.1021/jm1010012
44241723 83119 0 None -12 2 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 83119 0 None -12 2 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
57414996 129925 0 None - 1 Human 8.3 pKi = 8.3 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680206 129925 0 None - 1 Human 8.3 pKi = 8.3 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
53317081 57961 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 577 8 1 3 6.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2C)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682628 57961 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 577 8 1 3 6.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2C)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
44266551 97876 0 None 58 2 Human 8.3 pKi = 8.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](CC)c1ccccc1 10.1021/jm980633c
CHEMBL275017 97876 0 None 58 2 Human 8.3 pKi = 8.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](CC)c1ccccc1 10.1021/jm980633c
11353915 6875 0 None -2 2 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 601 9 1 4 7.6 CCCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
CHEMBL1084525 6875 0 None -2 2 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 601 9 1 4 7.6 CCCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
9940831 14477 0 None -1 4 Rat 8.3 pKi = 8.3 Binding
Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 810 13 4 9 5.7 O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 10.1016/S0960-894X(96)00604-X
CHEMBL1205204 14477 0 None -1 4 Rat 8.3 pKi = 8.3 Binding
Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 810 13 4 9 5.7 O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 10.1016/S0960-894X(96)00604-X
CHEMBL65468 14477 0 None -1 4 Rat 8.3 pKi = 8.3 Binding
Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 810 13 4 9 5.7 O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 10.1016/S0960-894X(96)00604-X
10619783 4614 0 None 5 2 Human 8.3 pKi = 8.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.1 CC[C@@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10334 4614 0 None 5 2 Human 8.3 pKi = 8.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.1 CC[C@@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
53321008 58004 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 578 8 2 3 5.8 CNC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682670 58004 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 578 8 2 3 5.8 CNC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
58312673 151442 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 571 6 0 5 4.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3966669 151442 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 571 6 0 5 4.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
10623566 79056 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 453 9 1 4 5.7 CC[C@H](NC(=O)c1c(OCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113678 79056 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 453 9 1 4 5.7 CC[C@H](NC(=O)c1c(OCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10222384 206116 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 6 1 3 5.8 CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL9645 206116 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 6 1 3 5.8 CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
53321001 57968 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682634 57968 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53319720 58015 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 582 8 0 4 4.0 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N2CCCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682681 58015 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 582 8 0 4 4.0 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N2CCCC2)CC1 10.1016/j.bmcl.2010.12.135
56591947 125304 0 None - 1 Human 8.2 pKi = 8.2 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 566 7 0 6 5.9 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nc1 nan
CHEMBL3648212 125304 0 None - 1 Human 8.2 pKi = 8.2 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 566 7 0 6 5.9 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nc1 nan
11273015 57957 0 None 14 3 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 563 8 1 3 6.0 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682624 57957 0 None 14 3 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 563 8 1 3 6.0 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53323700 57977 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 623 10 1 5 6.1 COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c(OC)c1 10.1016/j.bmcl.2010.12.135
CHEMBL1682643 57977 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 623 10 1 5 6.1 COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c(OC)c1 10.1016/j.bmcl.2010.12.135
53321000 57967 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682633 57967 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53246031 160097 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 6 5.9 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4113215 160097 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 6 5.9 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
10114860 97745 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 450 10 1 2 7.9 CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL274163 97745 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 450 10 1 2 7.9 CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
10813099 97915 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 442 6 1 2 7.5 CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL275259 97915 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 442 6 1 2 7.5 CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
9970049 98085 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 380 6 1 2 6.2 CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL276386 98085 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 380 6 1 2 6.2 CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
86275207 122478 0 None 10 2 Human 7.3 pKi = 7.3 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608740 122478 0 None 10 2 Human 7.3 pKi = 7.3 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
10114860 97745 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 450 10 1 2 7.9 CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
CHEMBL274163 97745 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 450 10 1 2 7.9 CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
10813099 97915 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 442 6 1 2 7.5 CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL275259 97915 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 442 6 1 2 7.5 CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
9970049 98085 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 6 1 2 6.2 CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL276386 98085 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 6 1 2 6.2 CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
2110 2922 33 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
219077 2922 33 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
3480 2922 33 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
CHEMBL346178 2922 33 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
DB04872 2922 33 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
90644620 112294 0 None -2 2 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288161 112294 0 None -2 2 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305870 112294 0 None -2 2 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
10548730 96713 0 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 395 5 2 3 4.1 CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL268046 96713 0 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 395 5 2 3 4.1 CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10179473 97930 0 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 406 4 1 2 5.9 O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
CHEMBL275316 97930 0 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 406 4 1 2 5.9 O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
10621487 206637 1 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 409 5 1 3 4.5 CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL9955 206637 1 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 409 5 1 3 4.5 CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10548730 96713 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 395 5 2 3 4.1 CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL268046 96713 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 395 5 2 3 4.1 CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
10179473 97930 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 406 4 1 2 5.9 O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
CHEMBL275316 97930 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 406 4 1 2 5.9 O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
10621487 206637 1 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 409 5 1 3 4.5 CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL9955 206637 1 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 409 5 1 3 4.5 CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
53482149 118339 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 387 3 0 6 3.7 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421994 118339 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 387 3 0 6 3.7 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
67453320 118345 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.4 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/jm5017413
CHEMBL3422000 118345 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.4 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/jm5017413
25195470 104131 0 None - 1 Human 5.3 pKi = 5.3 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 565 11 2 4 5.4 CCCN(C(C)=O)C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2013.12.033
CHEMBL3104785 104131 0 None - 1 Human 5.3 pKi = 5.3 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 565 11 2 4 5.4 CCCN(C(C)=O)C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2013.12.033
10225028 4613 0 None - 1 Human 5.3 pKi = 5.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 436 10 1 2 7.7 CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL10333 4613 0 None - 1 Human 5.3 pKi = 5.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 436 10 1 2 7.7 CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10225028 4613 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 436 10 1 2 7.7 CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL10333 4613 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 436 10 1 2 7.7 CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
53482945 118334 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421983 118334 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
118735342 118335 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 323 2 0 5 2.1 O=C(c1cccc(F)c1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421985 118335 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 323 2 0 5 2.1 O=C(c1cccc(F)c1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
118735345 118338 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 415 3 0 5 4.3 O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421991 118338 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 415 3 0 5 4.3 O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
71549772 160005 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 399 3 0 6 4.1 Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
CHEMBL4112541 160005 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 399 3 0 6 4.1 Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
86274965 160011 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)cc(F)c2)[C@@H]3C)n1 nan
CHEMBL4112585 160011 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)cc(F)c2)[C@@H]3C)n1 nan
57414882 129922 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 515 4 0 4 4.3 CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1 nan
CHEMBL3680203 129922 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 515 4 0 4 4.3 CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1 nan
20864936 60288 7 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 376 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760210 60288 7 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 376 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
10645347 101531 0 None - 1 Human 5.3 pKi = 5.3 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 6 2 4 4.5 COc1ccc2c(C(=O)NC(C(=O)O)c3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL301603 101531 0 None - 1 Human 5.3 pKi = 5.3 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 6 2 4 4.5 COc1ccc2c(C(=O)NC(C(=O)O)c3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
53246153 151741 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 588 6 0 7 5.0 N#Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)nn1 nan
CHEMBL3969252 151741 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 588 6 0 7 5.0 N#Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)nn1 nan
20906556 60343 6 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760337 60343 6 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
86274966 159724 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2F)[C@@H]3C)n1 nan
CHEMBL4110224 159724 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2F)[C@@H]3C)n1 nan
51351496 60284 7 None 4 4 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760205 60284 7 None 4 4 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
51351496 60284 7 None 4 4 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760205 60284 7 None 4 4 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
53247359 159512 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 592 7 0 6 5.8 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4108328 159512 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 592 7 0 6 5.8 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
10114860 97745 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 450 10 1 2 7.9 CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
CHEMBL274163 97745 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 450 10 1 2 7.9 CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
71549358 144124 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 461 3 0 7 4.8 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2csc(C(F)(F)F)n2)C1 nan
CHEMBL3908229 144124 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 461 3 0 7 4.8 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2csc(C(F)(F)F)n2)C1 nan
86275206 160191 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 354 2 0 7 2.6 Cc1ccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)cc1 nan
CHEMBL4113908 160191 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 354 2 0 7 2.6 Cc1ccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)cc1 nan
2110 2922 33 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
219077 2922 33 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
3480 2922 33 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
CHEMBL346178 2922 33 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
DB04872 2922 33 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
53321002 57991 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 543 9 1 4 4.9 COc1cccc([C@]2(C(=O)N(C)Cc3ccc(F)cc3)C[C@H]2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1 10.1016/j.bmcl.2010.12.135
CHEMBL1682657 57991 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 543 9 1 4 4.9 COc1cccc([C@]2(C(=O)N(C)Cc3ccc(F)cc3)C[C@H]2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1 10.1016/j.bmcl.2010.12.135
58046463 125295 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 471 6 0 5 5.1 COc1ccc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cn1 nan
CHEMBL3648203 125295 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 471 6 0 5 5.1 COc1ccc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cn1 nan
2110 2922 33 None -154 6 Rat 7.2 pKi = 7.2 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
219077 2922 33 None -154 6 Rat 7.2 pKi = 7.2 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
3480 2922 33 None -154 6 Rat 7.2 pKi = 7.2 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
CHEMBL346178 2922 33 None -154 6 Rat 7.2 pKi = 7.2 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
DB04872 2922 33 None -154 6 Rat 7.2 pKi = 7.2 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
10788556 100996 0 None - 1 Human 7.2 pKi = 7.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1 10.1021/jm960818o
CHEMBL297736 100996 0 None - 1 Human 7.2 pKi = 7.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1 10.1021/jm960818o
53246152 149743 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 630 6 0 5 6.8 O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1C[C@@H](N(C(=O)Oc2ccc(F)cc2)C2CC2)[C@H](c2ccc(Cl)cc2)C1 nan
CHEMBL3952617 149743 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 630 6 0 5 6.8 O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1C[C@@H](N(C(=O)Oc2ccc(F)cc2)C2CC2)[C@H](c2ccc(Cl)cc2)C1 nan
44315210 102445 0 None -288 3 Human 6.2 pKi = 6.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 747 14 0 8 8.0 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL306124 102445 0 None -288 3 Human 6.2 pKi = 6.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 747 14 0 8 8.0 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
86275207 122478 0 None -10 2 Rat 6.2 pKi = 6.2 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608740 122478 0 None -10 2 Rat 6.2 pKi = 6.2 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
86274960 143994 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3CCO)n1 nan
CHEMBL3907155 143994 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3CCO)n1 nan
86275682 153087 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)C3C)n1 nan
CHEMBL3980803 153087 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)C3C)n1 nan
86272104 160059 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(C(C)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4112928 160059 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(C(C)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
71549637 118361 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422016 118361 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
53246991 150184 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 578 6 0 7 4.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3956132 150184 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 578 6 0 7 4.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
58312651 153704 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 608 7 0 7 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(OC(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3986148 153704 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 608 7 0 7 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(OC(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
11498183 58001 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 617 8 0 3 7.0 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(C(=O)N2CCCCC2)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682667 58001 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 617 8 0 3 7.0 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(C(=O)N2CCCCC2)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
58312657 146623 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 609 6 0 4 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3927793 146623 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 609 6 0 4 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
10836803 79055 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 439 8 2 4 4.6 CC[C@H](NC(=O)c1c(OCC(N)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113677 79055 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 439 8 2 4 4.6 CC[C@H](NC(=O)c1c(OCC(N)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
44570979 183051 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 535 8 1 4 5.5 CN(Cc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1)S(C)(=O)=O 10.1016/j.bmcl.2008.12.005
CHEMBL480248 183051 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 535 8 1 4 5.5 CN(Cc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1)S(C)(=O)=O 10.1016/j.bmcl.2008.12.005
44570934 191176 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 429 5 2 3 5.6 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL519790 191176 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 429 5 2 3 5.6 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1 10.1016/j.bmcl.2008.12.005
10524687 4324 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL10134 4324 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
10222384 206116 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 396 6 1 3 5.8 CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL9645 206116 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 396 6 1 3 5.8 CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10524687 4324 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
CHEMBL10134 4324 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
52943546 18612 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 429 5 2 3 5.6 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)NC(c1cccc(F)c1)C1CC1 10.1021/jm1010012
CHEMBL1278150 18612 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 429 5 2 3 5.6 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)NC(c1cccc(F)c1)C1CC1 10.1021/jm1010012
10222384 206116 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 396 6 1 3 5.8 CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL9645 206116 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 396 6 1 3 5.8 CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
90417914 118360 0 None -2 5 Rhesus macaque 8.2 pKi = 8.2 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
CHEMBL3422015 118360 0 None -2 5 Rhesus macaque 8.2 pKi = 8.2 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
71549769 118363 0 None -1 5 Rhesus macaque 8.2 pKi = 8.2 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422018 118363 0 None -1 5 Rhesus macaque 8.2 pKi = 8.2 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
71549637 118361 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422016 118361 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
58312681 149361 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 585 7 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(OC)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3949252 149361 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 585 7 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(OC)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
58312671 160051 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 623 6 0 4 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL4112847 160051 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 623 6 0 4 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
11798897 79059 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 479 9 1 4 6.3 CC[C@H](NC(=O)c1c(OCCN2CCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113681 79059 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 479 9 1 4 6.3 CC[C@H](NC(=O)c1c(OCCN2CCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
46889669 6933 0 None -2 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 585 5 1 4 7.0 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@@H](O)C2)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084771 6933 0 None -2 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 585 5 1 4 7.0 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@@H](O)C2)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
86275207 122478 0 None 10 2 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 nan
CHEMBL3608740 122478 0 None 10 2 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 nan
56591945 125290 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 475 5 0 4 5.8 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccnc(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648199 125290 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 475 5 0 4 5.8 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccnc(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 nan
53245908 148536 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 606 7 0 6 6.2 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C(C)C)[C@H](c4ccc(Cl)cc4)C3)CC2)nc1 nan
CHEMBL3942941 148536 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 606 7 0 6 6.2 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C(C)C)[C@H](c4ccc(Cl)cc4)C3)CC2)nc1 nan
53247357 159380 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL4107191 159380 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)c(Cl)c1 nan
10522097 188063 0 None - 1 Human 5.2 pKi = 5.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 354 6 1 3 5.2 COc1ccc2c(CNCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL50346 188063 0 None - 1 Human 5.2 pKi = 5.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 354 6 1 3 5.2 COc1ccc2c(CNCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
2314026 193055 1 None - 1 Human 5.2 pKi = 5.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 362 5 1 4 3.8 COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(C)C 10.1021/jm960818o
CHEMBL53489 193055 1 None - 1 Human 5.2 pKi = 5.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 362 5 1 4 3.8 COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(C)C 10.1021/jm960818o
10296362 193273 0 None - 1 Human 6.2 pKi = 6.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 430 5 1 4 5.2 COC(=O)C(NC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL54205 193273 0 None - 1 Human 6.2 pKi = 6.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 430 5 1 4 5.2 COC(=O)C(NC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
57414881 129921 0 None - 1 Human 6.2 pKi = 6.2 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 491 4 0 4 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680202 129921 0 None - 1 Human 6.2 pKi = 6.2 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 491 4 0 4 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@]1(C)c1ccc(Cl)cc1 nan
86275208 159659 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 408 2 0 7 3.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]3C)n1 nan
CHEMBL4109584 159659 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 408 2 0 7 3.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]3C)n1 nan
118735349 118344 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 351 2 0 5 3.0 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3421999 118344 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 351 2 0 5 3.0 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/jm5017413
90644614 112212 0 None 1 2 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288158 112212 0 None 1 2 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3304470 112212 0 None 1 2 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
118735351 118347 0 None - 1 Human 5.2 pKi = 5.2 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.4 Cc1ccnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)c1 10.1021/jm5017413
CHEMBL3422002 118347 0 None - 1 Human 5.2 pKi = 5.2 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.4 Cc1ccnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)c1 10.1021/jm5017413
90644610 112252 0 None -15 2 Human 5.2 pKi = 5.2 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 2 6 5.7 CN1C(=O)OC2(CCN(CCC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288156 112252 0 None -15 2 Human 5.2 pKi = 5.2 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 2 6 5.7 CN1C(=O)OC2(CCN(CCC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305158 112252 0 None -15 2 Human 5.2 pKi = 5.2 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 2 6 5.7 CN1C(=O)OC2(CCN(CCC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
10173872 138743 0 None -6309 2 Human 6.2 pKi = 6.2 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 459 6 1 2 6.0 CC(=O)N[C@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 10.1016/j.bmcl.2006.04.031
CHEMBL379072 138743 0 None -6309 2 Human 6.2 pKi = 6.2 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 459 6 1 2 6.0 CC(=O)N[C@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 10.1016/j.bmcl.2006.04.031
57414355 129902 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 482 4 0 5 4.7 Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)cnn1 nan
CHEMBL3680183 129902 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 482 4 0 5 4.7 Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)cnn1 nan
53247476 159480 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 628 7 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4108048 159480 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 628 7 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
135419384 101057 0 None - 1 Human 6.2 pKi = 6.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 5 2 5 4.3 COC(=O)C(NC(=O)c1cc(-c2ccccc2O)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL298185 101057 0 None - 1 Human 6.2 pKi = 6.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 5 2 5 4.3 COC(=O)C(NC(=O)c1cc(-c2ccccc2O)nc2ccccc12)c1ccccc1 10.1021/jm960818o
10179239 101525 0 None - 1 Human 7.2 pKi = 7.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL301564 101525 0 None - 1 Human 7.2 pKi = 7.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
53246156 148709 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 572 6 1 5 3.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3944288 148709 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 572 6 1 5 3.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
10622339 188033 0 None - 1 Human 6.2 pKi = 6.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(OC)cc1 10.1021/jm960818o
CHEMBL50291 188033 0 None - 1 Human 6.2 pKi = 6.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(OC)cc1 10.1021/jm960818o
53324973 57978 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 623 10 1 5 6.1 COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC 10.1016/j.bmcl.2010.12.135
CHEMBL1682644 57978 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 623 10 1 5 6.1 COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC 10.1016/j.bmcl.2010.12.135
53326274 57982 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 531 8 1 3 5.0 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682648 57982 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 531 8 1 3 5.0 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.12.135
57414218 129899 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 491 4 0 4 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680180 129899 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 491 4 0 4 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
44315209 203203 0 None -295 3 Human 6.2 pKi = 6.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 728 12 0 8 7.9 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC#N)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL76093 203203 0 None -295 3 Human 6.2 pKi = 6.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 728 12 0 8 7.9 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC#N)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
71549911 159710 0 None - 1 Human 7.2 pKi = 7.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 418 3 0 7 3.9 Cc1cc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n(C)n1 nan
CHEMBL4110064 159710 0 None - 1 Human 7.2 pKi = 7.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 418 3 0 7 3.9 Cc1cc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n(C)n1 nan
86275209 160018 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.9 CC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4112608 160018 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.9 CC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
53246033 150808 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 647 11 0 7 5.6 CCN(CC)CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(CC)C(=O)Oc4ccc(F)cc4)[C@H](c4ccc(F)cc4)C3)CC2)nc1 nan
CHEMBL3961085 150808 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 647 11 0 7 5.6 CCN(CC)CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(CC)C(=O)Oc4ccc(F)cc4)[C@H](c4ccc(F)cc4)C3)CC2)nc1 nan
71549362 159606 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 427 4 0 6 4.9 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
CHEMBL4109138 159606 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 427 4 0 6 4.9 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
71549635 160327 0 None 851 3 Human 8.2 pKi = 8.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 450 4 0 8 4.4 C[C@@H]1c2nnc(-c3csc(N(C)C)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
CHEMBL4115030 160327 0 None 851 3 Human 8.2 pKi = 8.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 450 4 0 8 4.4 C[C@@H]1c2nnc(-c3csc(N(C)C)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
86275451 159546 0 None 4466 3 Human 8.2 pKi = 8.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 420 4 0 8 3.8 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL4108623 159546 0 None 4466 3 Human 8.2 pKi = 8.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 420 4 0 8 3.8 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
10837820 178655 0 None 38 2 Human 8.2 pKi = 8.2 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 463 7 1 3 6.8 CC[C@H](NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL47275 178655 0 None 38 2 Human 8.2 pKi = 8.2 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 463 7 1 3 6.8 CC[C@H](NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
53246385 148862 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 7 0 6 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
CHEMBL3945552 148862 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 7 0 6 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
53246743 151053 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 570 6 0 5 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3963412 151053 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 570 6 0 5 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
10524687 4324 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
CHEMBL10134 4324 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
58312620 144968 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 540 6 0 5 4.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)CC#N)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3914687 144968 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 540 6 0 5 4.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)CC#N)CC2)C[C@H]1c1ccc(Cl)cc1 nan
56592032 125289 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 530 5 0 4 4.9 CC1(C(=O)N2CCN(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)CC1 nan
CHEMBL3648198 125289 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 530 5 0 4 4.9 CC1(C(=O)N2CCN(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)CC1 nan
46889694 6498 0 None -4 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 599 6 1 4 7.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1083052 6498 0 None -4 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 599 6 1 4 7.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
53324976 57996 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 541 8 1 3 5.5 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)c(C)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682662 57996 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 541 8 1 3 5.5 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)c(C)c2)CC1 10.1016/j.bmcl.2010.12.135
53324988 58012 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 574 8 0 4 4.7 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682678 58012 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 574 8 0 4 4.7 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCCC2)CC1 10.1016/j.bmcl.2010.12.135
2132 3687 48 None 1 6 Human 8.1 pKi = 8.1 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2011.02.033
5311424 3687 48 None 1 6 Human 8.1 pKi = 8.1 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2011.02.033
CHEMBL10188 3687 48 None 1 6 Human 8.1 pKi = 8.1 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2011.02.033
53247608 150863 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 7 1 6 4.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3961600 150863 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 7 1 6 4.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53326891 57863 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 577 8 1 3 6.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(C)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1681797 57863 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 577 8 1 3 6.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(C)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
57414489 129908 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 568 5 0 5 5.7 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680189 129908 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 568 5 0 5 5.7 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
51003494 58014 0 None 9 3 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 556 8 0 4 3.5 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N(C)C)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682680 58014 0 None 9 3 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 556 8 0 4 3.5 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N(C)C)CC1 10.1016/j.bmcl.2010.12.135
46889691 6849 0 None 1 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 613 6 1 4 7.7 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084434 6849 0 None 1 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 613 6 1 4 7.7 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
53317093 58007 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 599 9 1 4 5.5 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(NS(C)(=O)=O)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682673 58007 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 599 9 1 4 5.5 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(NS(C)(=O)=O)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
58312685 146230 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 566 6 0 5 4.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3924432 146230 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 566 6 0 5 4.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
2131 3443 63 None 34 2 Human 8.1 pKi = 8.1 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2008.12.005
6604009 3443 63 None 34 2 Human 8.1 pKi = 8.1 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2008.12.005
CHEMBL10284 3443 63 None 34 2 Human 8.1 pKi = 8.1 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2008.12.005
9843873 182511 0 None - 1 Human 8.1 pKi = 8.1 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 399 5 2 3 5.5 CC[C@H](NC(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
CHEMBL479450 182511 0 None - 1 Human 8.1 pKi = 8.1 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 399 5 2 3 5.5 CC[C@H](NC(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
86272102 122476 0 None 9 2 Human 8.1 pKi = 8.1 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3608688 122476 0 None 9 2 Human 8.1 pKi = 8.1 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
44215996 18570 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 399 5 2 3 5.5 CCC(NC(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL1277890 18570 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 399 5 2 3 5.5 CCC(NC(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
2132 3687 48 None 1 6 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
5311424 3687 48 None 1 6 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
CHEMBL10188 3687 48 None 1 6 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
86302473 112251 0 None -3 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 11 2 6 5.5 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288169 112251 0 None -3 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 11 2 6 5.5 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305156 112251 0 None -3 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 11 2 6 5.5 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
71549499 160181 0 None - 1 Human 7.2 pKi = 7.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 399 3 0 6 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)co1 nan
CHEMBL4113811 160181 0 None - 1 Human 7.2 pKi = 7.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 399 3 0 6 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)co1 nan
86275452 142080 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)C3C)n1 nan
CHEMBL3891477 142080 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)C3C)n1 nan
53317711 57980 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 569 8 1 4 6.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccs2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682646 57980 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 569 8 1 4 6.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccs2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
58312663 150537 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 646 6 0 5 6.3 CCN(C(=O)Oc1ccccc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3958938 150537 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 646 6 0 5 6.3 CCN(C(=O)Oc1ccccc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
54585832 60290 0 None - 1 Human 6.2 pKi = 6.2 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 387 4 1 5 2.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C#N)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760212 60290 0 None - 1 Human 6.2 pKi = 6.2 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 387 4 1 5 2.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C#N)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
76317390 104130 0 None -5 2 Human 7.1 pKi = 7.1 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 633 6 1 4 7.4 Cc1cc(F)ccc1-c1cc(N2CC(F)(F)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
CHEMBL3104784 104130 0 None -5 2 Human 7.1 pKi = 7.1 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 633 6 1 4 7.4 Cc1cc(F)ccc1-c1cc(N2CC(F)(F)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
86275685 144745 0 None 416 2 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)C3C)n1 nan
CHEMBL3913001 144745 0 None 416 2 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)C3C)n1 nan
2109 4073 3 None -676 3 Human 7.1 pKi = 7.1 Binding
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsBinding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
ChEMBL 631 9 0 4 7.9 N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C 10.1016/s0960-894x(01)00572-8
9852253 4073 3 None -676 3 Human 7.1 pKi = 7.1 Binding
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsBinding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
ChEMBL 631 9 0 4 7.9 N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C 10.1016/s0960-894x(01)00572-8
CHEMBL129683 4073 3 None -676 3 Human 7.1 pKi = 7.1 Binding
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsBinding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
ChEMBL 631 9 0 4 7.9 N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C 10.1016/s0960-894x(01)00572-8
2109 4073 3 None -676 3 Human 7.1 pKi = 7.1 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 631 9 0 4 7.9 N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C 10.1021/jm020094i
9852253 4073 3 None -676 3 Human 7.1 pKi = 7.1 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 631 9 0 4 7.9 N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C 10.1021/jm020094i
CHEMBL129683 4073 3 None -676 3 Human 7.1 pKi = 7.1 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 631 9 0 4 7.9 N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C 10.1021/jm020094i
10271147 162696 0 None - 1 Human 7.1 pKi = 7.1 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.0 CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL418524 162696 0 None - 1 Human 7.1 pKi = 7.1 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.0 CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
71533722 118355 0 None -5 5 Rat 7.1 pKi = 7.1 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/acsmedchemlett.5b00117
CHEMBL3422010 118355 0 None -5 5 Rat 7.1 pKi = 7.1 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/acsmedchemlett.5b00117
71533722 118355 0 None -5 5 Rat 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422010 118355 0 None -5 5 Rat 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
118735340 118333 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
CHEMBL3421982 118333 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
10786383 188045 0 None - 1 Human 7.1 pKi = 7.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 386 5 1 5 4.1 COC(=O)C(NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL50302 188045 0 None - 1 Human 7.1 pKi = 7.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 386 5 1 5 4.1 COC(=O)C(NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
68089183 129910 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 492 4 0 5 4.9 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680191 129910 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 492 4 0 5 4.9 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1 nan
86275211 159725 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 386 4 0 7 3.2 CCC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4110242 159725 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 386 4 0 7 3.2 CCC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
10764902 101305 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccccc2OC)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL299973 101305 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccccc2OC)nc2ccccc12)c1ccccc1 10.1021/jm960818o
10271147 162696 0 None - 1 Human 7.1 pKi = 7.1 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 2 6.0 CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL418524 162696 0 None - 1 Human 7.1 pKi = 7.1 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 2 6.0 CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10271147 162696 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 5 1 2 6.0 CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL418524 162696 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 5 1 2 6.0 CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
71533722 118355 0 None -5 5 Rat 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422010 118355 0 None -5 5 Rat 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
118735340 118333 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
CHEMBL3421982 118333 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
71549359 118357 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 10.1021/jm5017413
CHEMBL3422012 118357 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 10.1021/jm5017413
118735354 118358 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 475 3 0 7 5.4 C[C@@H]1c2nnc(-c3csc(C(F)(F)F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422013 118358 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 475 3 0 7 5.4 C[C@@H]1c2nnc(-c3csc(C(F)(F)F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
76317390 104130 0 None -5 2 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 633 6 1 4 7.4 Cc1cc(F)ccc1-c1cc(N2CC(F)(F)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
CHEMBL3104784 104130 0 None -5 2 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 633 6 1 4 7.4 Cc1cc(F)ccc1-c1cc(N2CC(F)(F)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
67453148 118343 0 None - 1 Human 6.1 pKi = 6.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.7 C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
CHEMBL3421998 118343 0 None - 1 Human 6.1 pKi = 6.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.7 C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
90644626 112256 0 None -2 2 Human 6.1 pKi = 6.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.7 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288164 112256 0 None -2 2 Human 6.1 pKi = 6.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.7 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305163 112256 0 None -2 2 Human 6.1 pKi = 6.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.7 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
11239751 84747 0 None -79432 3 Human 5.1 pKi = 5.1 Binding
Displacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cellsDisplacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cells
ChEMBL 785 10 7 8 -0.5 NS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 10.1021/jm040832y
CHEMBL225297 84747 0 None -79432 3 Human 5.1 pKi = 5.1 Binding
Displacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cellsDisplacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cells
ChEMBL 785 10 7 8 -0.5 NS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 10.1021/jm040832y
67455077 118342 0 None - 1 Human 5.1 pKi = 5.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.7 C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
CHEMBL3421997 118342 0 None - 1 Human 5.1 pKi = 5.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.7 C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
9887650 16472 0 None -63095 5 Guinea pig 4.1 pKi = 4.1 Binding
The compound was tested for binding affinity against Tachykinin receptor 3 from guinea pig cerebral cortexThe compound was tested for binding affinity against Tachykinin receptor 3 from guinea pig cerebral cortex
ChEMBL 407 5 1 3 4.3 O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 10.1021/jm00019a006
CHEMBL124208 16472 0 None -63095 5 Guinea pig 4.1 pKi = 4.1 Binding
The compound was tested for binding affinity against Tachykinin receptor 3 from guinea pig cerebral cortexThe compound was tested for binding affinity against Tachykinin receptor 3 from guinea pig cerebral cortex
ChEMBL 407 5 1 3 4.3 O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 10.1021/jm00019a006
44550460 195361 0 None -1 4 Guinea pig 8.1 pKi = 8.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567198 195361 0 None -1 4 Guinea pig 8.1 pKi = 8.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
53247479 145874 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ncc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3921770 145874 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ncc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53247603 146691 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3928364 146691 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53246274 151868 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 612 7 0 7 4.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
CHEMBL3970478 151868 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 612 7 0 7 4.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
53247481 152159 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 621 6 0 6 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3972805 152159 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 621 6 0 6 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
57414998 129926 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 592 6 0 6 5.6 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nc1 nan
CHEMBL3680207 129926 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 592 6 0 6 5.6 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nc1 nan
53247483 151422 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 515 5 0 4 4.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3966518 151422 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 515 5 0 4 4.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccc(Cl)cc1 nan
58312656 153218 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 596 6 0 5 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3981870 153218 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 596 6 0 5 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
2131 3443 63 None 34 2 Human 8.1 pKi = 8.1 Binding
Displacement of radiolabeled SB 222200 from human NK3 receptorDisplacement of radiolabeled SB 222200 from human NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm8007618
6604009 3443 63 None 34 2 Human 8.1 pKi = 8.1 Binding
Displacement of radiolabeled SB 222200 from human NK3 receptorDisplacement of radiolabeled SB 222200 from human NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm8007618
CHEMBL10284 3443 63 None 34 2 Human 8.1 pKi = 8.1 Binding
Displacement of radiolabeled SB 222200 from human NK3 receptorDisplacement of radiolabeled SB 222200 from human NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm8007618
46889690 6873 0 None -9 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 585 5 1 4 7.0 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@H](O)C2)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084522 6873 0 None -9 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 585 5 1 4 7.0 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@H](O)C2)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
10695575 79054 0 None - 1 Human 8.1 pKi = 8.1 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 467 10 1 4 6.1 CC[C@H](NC(=O)c1c(OCCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113676 79054 0 None - 1 Human 8.1 pKi = 8.1 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 467 10 1 4 6.1 CC[C@H](NC(=O)c1c(OCCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
56592029 125299 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 517 6 0 4 5.3 CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 nan
CHEMBL3648207 125299 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 517 6 0 4 5.3 CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 nan
53318390 58016 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 588 8 0 4 5.1 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCCCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682682 58016 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 588 8 0 4 5.1 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCCCC2)CC1 10.1016/j.bmcl.2010.12.135
10786254 192594 0 None - 1 Human 5.1 pKi = 5.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 384 5 1 4 5.7 COc1ccc2c(NC(=O)OCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL52335 192594 0 None - 1 Human 5.1 pKi = 5.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 384 5 1 4 5.7 COc1ccc2c(NC(=O)OCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
10717542 193044 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 430 5 1 4 5.2 COC(=O)C(NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL53433 193044 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 430 5 1 4 5.2 COC(=O)C(NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549359 118357 0 None - 1 Human 7.1 pKi = 7.1 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
CHEMBL3422012 118357 0 None - 1 Human 7.1 pKi = 7.1 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
129625879 144051 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3907662 144051 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
86272101 148459 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3942295 148459 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
11657014 57958 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 563 8 1 3 6.0 CC(=O)NC1(c2ccccc2)CCN(C[C@H]2C[C@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682625 57958 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 563 8 1 3 6.0 CC(=O)NC1(c2ccccc2)CCN(C[C@H]2C[C@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
1760287 4231 2 None 2 2 Human 6.1 pKi = 6.1 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 5 1 2 5.8 CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10079 4231 2 None 2 2 Human 6.1 pKi = 6.1 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 5 1 2 5.8 CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
86272102 122476 0 None -9 2 Rat 7.1 pKi = 7.1 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3608688 122476 0 None -9 2 Rat 7.1 pKi = 7.1 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
86275212 160346 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 388 3 0 8 2.5 COc1cc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)ccc1F nan
CHEMBL4115179 160346 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 388 3 0 8 2.5 COc1cc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)ccc1F nan
57414354 129901 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 474 4 0 4 4.7 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680182 129901 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 474 4 0 4 4.7 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1 nan
56591946 125296 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 448 5 0 4 4.8 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648204 125296 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 448 5 0 4 4.8 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1 nan
10270385 188585 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 368 5 1 3 4.8 COc1ccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL51120 188585 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 368 5 1 3 4.8 COc1ccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
86275447 159928 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 354 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2C)[C@@H]3C)n1 nan
CHEMBL4111859 159928 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 354 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2C)[C@@H]3C)n1 nan
53245782 159482 0 None - 1 Human 7.1 pKi = 7.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 618 6 0 5 6.6 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4108064 159482 0 None - 1 Human 7.1 pKi = 7.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 618 6 0 5 6.6 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
10810808 193031 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 397 5 1 5 3.9 COC(=O)C(NC(=O)c1nc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL53356 193031 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 397 5 1 5 3.9 COC(=O)C(NC(=O)c1nc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
86275683 145546 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)C3C)n1 nan
CHEMBL3919172 145546 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)C3C)n1 nan
53247358 159822 0 None - 1 Human 7.1 pKi = 7.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ncc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4110994 159822 0 None - 1 Human 7.1 pKi = 7.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ncc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
53246863 142802 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 566 6 0 5 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3897339 142802 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 566 6 0 5 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53246620 144930 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 620 6 0 5 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3914369 144930 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 620 6 0 5 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
9852904 116536 0 None -34 3 Human 8.0 pKi = 8.0 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 677 10 1 6 5.9 CNC(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm020094i
CHEMBL339051 116536 0 None -34 3 Human 8.0 pKi = 8.0 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 677 10 1 6 5.9 CNC(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm020094i
57414997 129927 0 None - 1 Human 8.0 pKi = 8 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 584 5 0 5 6.0 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680208 129927 0 None - 1 Human 8.0 pKi = 8 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 584 5 0 5 6.0 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
53326885 57995 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682661 57995 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
57414880 129920 0 None - 1 Human 7.0 pKi = 7.0 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 6.1 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680201 129920 0 None - 1 Human 7.0 pKi = 7.0 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 6.1 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
10177949 188308 0 None - 1 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 382 6 1 3 4.9 COc1ccc2c(C(=O)NCCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL50742 188308 0 None - 1 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 382 6 1 3 4.9 COc1ccc2c(C(=O)NCCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
44351946 116866 1 None -9999 3 Human 5.0 pKi = 5.0 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 568 8 0 3 7.3 CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm020094i
CHEMBL339767 116866 1 None -9999 3 Human 5.0 pKi = 5.0 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 568 8 0 3 7.3 CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm020094i
10135793 188775 0 None - 1 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 403 5 1 6 4.0 COC(=O)C(NC(=O)c1cc(-c2nccs2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL51274 188775 0 None - 1 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 403 5 1 6 4.0 COC(=O)C(NC(=O)c1cc(-c2nccs2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
5764 3441 35 None 58 2 Human 6.0 pKi = 6.0 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
6604858 3441 35 None 58 2 Human 6.0 pKi = 6.0 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
CHEMBL9843 3441 35 None 58 2 Human 6.0 pKi = 6.0 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
6604014 206112 6 None 28 2 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL9643 206112 6 None 28 2 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
6604014 206112 6 None 28 2 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL9643 206112 6 None 28 2 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
53326646 57998 0 None - 1 Human 7.0 pKi = 7.0 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 519 8 1 4 4.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccs2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682664 57998 0 None - 1 Human 7.0 pKi = 7.0 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 519 8 1 4 4.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccs2)CC1 10.1016/j.bmcl.2010.12.135
56592201 125312 0 None - 1 Human 7.0 pKi = 7.0 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 537 6 0 4 6.2 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648220 125312 0 None - 1 Human 7.0 pKi = 7.0 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 537 6 0 4 6.2 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
46889466 7197 0 None -30 2 Human 7.0 pKi = 7.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 573 8 1 4 7.4 COCCNc1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
CHEMBL1086004 7197 0 None -30 2 Human 7.0 pKi = 7.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 573 8 1 4 7.4 COCCNc1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
44315589 203130 0 None -489 3 Human 6.0 pKi = 6.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 804 16 1 9 7.2 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)NCCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL75478 203130 0 None -489 3 Human 6.0 pKi = 6.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 804 16 1 9 7.2 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)NCCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
10136512 187689 0 None - 1 Human 7.0 pKi = 7.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 414 5 1 4 4.7 COC(=O)C(NC(=O)c1cc(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL49999 187689 0 None - 1 Human 7.0 pKi = 7.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 414 5 1 4 4.7 COC(=O)C(NC(=O)c1cc(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1021/jm960818o
44315572 102508 0 None -38 3 Human 7.0 pKi = 7.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 689 11 1 7 8.3 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL306624 102508 0 None -38 3 Human 7.0 pKi = 7.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 689 11 1 7 8.3 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
9874473 41564 0 None -54 3 Human 7.0 pKi = 7.0 Binding
In vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]MePhe-NKB as a radioligandIn vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]MePhe-NKB as a radioligand
ChEMBL 659 10 0 4 8.4 CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm030197g
CHEMBL149326 41564 0 None -54 3 Human 7.0 pKi = 7.0 Binding
In vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]MePhe-NKB as a radioligandIn vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]MePhe-NKB as a radioligand
ChEMBL 659 10 0 4 8.4 CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm030197g
10835383 206547 0 None - 1 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 410 6 1 4 4.9 COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL9898 206547 0 None - 1 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 410 6 1 4 4.9 COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10596000 97728 6 None - 1 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 381 5 2 3 3.9 NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL273975 97728 6 None - 1 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 381 5 2 3 3.9 NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
57415121 129930 0 None - 1 Human 6.0 pKi = 6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 563 5 0 4 5.9 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680211 129930 0 None - 1 Human 6.0 pKi = 6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 563 5 0 4 5.9 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@]1(C)c1ccc(Cl)cc1 nan
108147 3526 29 None 2 3 Rat 8.5 pKd = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
108147 3526 29 None 2 3 Rat 8.5 pKd = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2426259
2127 3526 29 None 2 3 Rat 8.5 pKd = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
2127 3526 29 None 2 3 Rat 8.5 pKd = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2426259
CHEMBL106124 3526 29 None 2 3 Rat 8.5 pKd = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
CHEMBL106124 3526 29 None 2 3 Rat 8.5 pKd = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2426259
2110 2922 33 None -3 6 Human 9.9 pKd = 9.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 None
219077 2922 33 None -3 6 Human 9.9 pKd = 9.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 None
3480 2922 33 None -3 6 Human 9.9 pKd = 9.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 None
CHEMBL346178 2922 33 None -3 6 Human 9.9 pKd = 9.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 None
DB04872 2922 33 None -3 6 Human 9.9 pKd = 9.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 None
None 214304 0 125I-Iodohistidyl [MePhe7]NKB 1 8 Guinea pig 10.0 pKi = 10.0 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 214304 0 125I-Iodohistidyl [MePhe7]NKB -1 8 Human 9.7 pKi = 9.7 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 214304 0 125I-Iodohistidyl [MePhe7]NKB -1 8 Human 9.4 pKi = 9.4 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 214301 0 125I-[MePhe7]-NKB 4 4 Human 9.1 pKi = 9.1 Binding
NoneNone
PDSP KiDatabase 1210 38 14 16 -1.6 CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N None
133090 97971 18 125I-[MePhe7]-NKB 9 3 Human 9.0 pKi = 9 Binding
NoneNone
PDSP KiDatabase 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 None
CHEMBL275544 97971 18 125I-[MePhe7]-NKB 9 3 Human 9.0 pKi = 9 Binding
NoneNone
PDSP KiDatabase 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 None
None 214304 0 125I-[MePhe7]-NKB -1 8 Human 8.9 pKi = 8.9 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 214304 0 Neurokinin -1 8 Human 8.8 pKi = 8.8 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
202 1480 0 UNDEFINED -9 31 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 297 6 1 3 4.6 CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 None
60835 1480 0 UNDEFINED -9 31 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 297 6 1 3 4.6 CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 None
972 1480 0 UNDEFINED -9 31 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 297 6 1 3 4.6 CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 None
CHEMBL1175 1480 0 UNDEFINED -9 31 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 297 6 1 3 4.6 CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 None
DB00476 1480 0 UNDEFINED -9 31 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 297 6 1 3 4.6 CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 None
5656 201377 82 UNDEFINED -7 40 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 277 5 1 3 3.0 COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 None
CHEMBL637 201377 82 UNDEFINED -7 40 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 277 5 1 3 3.0 COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 None
54841 201437 51 UNDEFINED -1 28 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 255 6 1 2 3.7 CNCC[C@@H](Oc1ccccc1C)c1ccccc1 None
CHEMBL641 201437 51 UNDEFINED -1 28 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 255 6 1 2 3.7 CNCC[C@@H](Oc1ccccc1C)c1ccccc1 None
3075702 215594 0 3H-SENKTIDE -2 37 Human 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 198 3 1 3 1.5 C1CNC1COC2=CN=C(C=C2)Cl None
119376 1811 41 3H-SENKTIDE -54954 26 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 393 7 1 6 1.6 O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C None
247 1811 41 3H-SENKTIDE -54954 26 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 393 7 1 6 1.6 O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C None
CHEMBL33884 1811 41 3H-SENKTIDE -54954 26 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 393 7 1 6 1.6 O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C None
3294 1975 106 125I-NKB -14454 44 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 426 8 0 6 4.8 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C None
71360 1975 106 125I-NKB -14454 44 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 426 8 0 6 4.8 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C None
87 1975 106 125I-NKB -14454 44 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 426 8 0 6 4.8 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C None
CHEMBL14376 1975 106 125I-NKB -14454 44 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 426 8 0 6 4.8 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C None
DB04946 1975 106 125I-NKB -14454 44 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 426 8 0 6 4.8 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C None
243 3153 85 3H-SR 142801 -1096 34 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 367 6 2 5 2.1 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N None
3052762 3153 85 3H-SR 142801 -1096 34 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 367 6 2 5 2.1 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N None
3502 3153 85 3H-SR 142801 -1096 34 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 367 6 2 5 2.1 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N None
CHEMBL117287 3153 85 3H-SR 142801 -1096 34 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 367 6 2 5 2.1 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N None
DB06480 3153 85 3H-SR 142801 -1096 34 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 367 6 2 5 2.1 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N None
21830793 91403 5 3H-8-OH-DPAT -66069 46 Bovine 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 373 7 0 8 0.6 COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 None
CHEMBL2413154 91403 5 3H-8-OH-DPAT -66069 46 Bovine 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 373 7 0 8 0.6 COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 None
133090 97971 18 3H-SUBSTANCE P 9 3 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 None
CHEMBL275544 97971 18 3H-SUBSTANCE P 9 3 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 None
44208932 140176 6 UNDEFINED -120226 37 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 475 5 1 3 6.8 Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 None
CHEMBL381689 140176 6 UNDEFINED -120226 37 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 475 5 1 3 6.8 Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 None
1973 201790 12 3H-SENKTIDE -3 35 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 462 3 1 7 3.9 Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 None
CHEMBL1394464 201790 12 3H-SENKTIDE -3 35 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 462 3 1 7 3.9 Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 None
CHEMBL66089 201790 12 3H-SENKTIDE -3 35 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 462 3 1 7 3.9 Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 None
None 214358 0 3H-Eledoisin -1 13 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 164 3 1 3 0.8 C1CNC1COC2=CN=CC=C2 None
None 214752 0 125I-Eledoisin -10471285 17 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 372 2 1 3 4.4 CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl None
None 214618 0 125I-Iodohistidyl [MePhe7]NKB - 1 Human 6.0 pKi = 6.0 Binding
NoneNone
PDSP KiDatabase 654 9 0 2 5.2 CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCC(C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl.[Cl-] None
9850582 195566 21 Neurokinin -977 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
CHEMBL56835 195566 21 Neurokinin -977 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
2098 3638 31 125I-[MePhe7]-NKB -5248 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase None None None None None
36511 3638 31 125I-[MePhe7]-NKB -5248 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase None None None None None
3805 3638 31 125I-[MePhe7]-NKB -5248 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase None None None None None
3835 3638 31 125I-[MePhe7]-NKB -5248 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase None None None None None
CHEMBL235363 3638 31 125I-[MePhe7]-NKB -5248 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase None None None None None
None 214304 0 125I-BH Eledoisin -46 8 Rat 7.8 pKi = 7.8 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
5079497 214303 0 125I-Iodohistidyl [MePhe7]NKB 1445 3 Human 7.8 pKi = 7.8 Binding
NoneNone
PDSP KiDatabase 841 26 8 10 -0.0 CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)CCC(=O)O None
5079497 214303 0 125I-[MePhe7]-NKB 1445 3 Human 8.6 pKi = 8.6 Binding
NoneNone
PDSP KiDatabase 841 26 8 10 -0.0 CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)CCC(=O)O None
9850582 195566 21 125I-Bolton Hunter -295 6 Guinea pig 6.7 pKi = 6.7 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
CHEMBL56835 195566 21 125I-Bolton Hunter -295 6 Guinea pig 6.7 pKi = 6.7 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
None 214304 0 125I-Iodohistidyl [MePhe7]NKB 1 8 Guinea pig 7.6 pKi = 7.6 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 214301 0 125I-Bolton Hunter -4 4 Guinea pig 8.5 pKi = 8.5 Binding
NoneNone
PDSP KiDatabase 1210 38 14 16 -1.6 CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N None
None 214304 0 125I-Iodohistidyl [MePhe7]NKB -1 8 Human 7.5 pKi = 7.5 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 214304 0 125I-Iodohistidyl [MePhe7]NKB -1 8 Human 7.5 pKi = 7.5 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 214434 0 125I-Bolton Hunter -36 6 Guinea pig 5.5 pKi = 5.5 Binding
NoneNone
PDSP KiDatabase 1041 17 10 13 0.9 CCCCCC1=CC=CC=C1CCC(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(=CC3=CC=C(C=C3)O)N(C2=O)C)CC(C)C)CC4=CC=CC=C4)C(C)O)CC(=O)N)CO)C None
9850582 195566 21 125I-Iodohistidyl [MePhe7]NKB -977 6 Human 6.4 pKi = 6.4 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
CHEMBL56835 195566 21 125I-Iodohistidyl [MePhe7]NKB -977 6 Human 6.4 pKi = 6.4 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
None 214304 0 125I-BH Eledoisin -46 8 Rat 6.4 pKi = 6.4 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 214302 0 125I-[MePhe7]-NKB -707 6 Human 6.3 pKi = 6.3 Binding
NoneNone
PDSP KiDatabase 1133 37 16 17 -4.6 CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N None
None 214433 0 125I-Bolton Hunter -3801 5 Guinea pig 5.3 pKi = 5.3 Binding
NoneNone
PDSP KiDatabase 588 8 2 5 4.3 CN1C=C(C2=CC=CC=C21)C(=O)N3CC(CC3C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N(C)CC6=CC=CC=C6)O None
135413536 444 80 None -50 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
Drug Central 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C None
230 444 80 None -50 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
Drug Central 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C None
3490 444 80 None -50 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
Drug Central 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C None
6918365 444 80 None -50 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
Drug Central 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C None
CHEMBL1471 444 80 None -50 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
Drug Central 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C None
DB00673 444 80 None -50 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
Drug Central 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C None
9850582 195566 21 125I-[MePhe7]-NKB -977 6 Human 6.2 pKi = 6.2 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
CHEMBL56835 195566 21 125I-[MePhe7]-NKB -977 6 Human 6.2 pKi = 6.2 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
10422 1604 28 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.
Guide to Pharmacology 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 26191358
117604931 1604 28 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.
Guide to Pharmacology 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 26191358
CHEMBL3608680 1604 28 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.
Guide to Pharmacology 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 26191358
DB15669 1604 28 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.
Guide to Pharmacology 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 26191358
2098 3638 31 None -13182 6 Mouse 5.3 pKi = 5.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
36511 3638 31 None -13182 6 Mouse 5.3 pKi = 5.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
3805 3638 31 None -13182 6 Mouse 5.3 pKi = 5.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
3835 3638 31 None -13182 6 Mouse 5.3 pKi = 5.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL235363 3638 31 None -13182 6 Mouse 5.3 pKi = 5.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
190945 2979 0 None - 1 Human 7.4 pKi = 7.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 553 16 4 6 4.7 OCCCCCCCCN[C@@](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C 7476898
5766 2979 0 None - 1 Human 7.4 pKi = 7.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 553 16 4 6 4.7 OCCCCCCCCN[C@@](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C 7476898
2131 3443 63 None 34 2 Human 7.5 pKi = 7.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10992004
2131 3443 63 None 34 2 Human 7.5 pKi = 7.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 11226387
6604009 3443 63 None 34 2 Human 7.5 pKi = 7.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10992004
6604009 3443 63 None 34 2 Human 7.5 pKi = 7.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 11226387
CHEMBL10284 3443 63 None 34 2 Human 7.5 pKi = 7.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10992004
CHEMBL10284 3443 63 None 34 2 Human 7.5 pKi = 7.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 11226387
108147 3526 29 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
108147 3526 29 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
108147 3526 29 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
2127 3526 29 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2127 3526 29 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
2127 3526 29 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
CHEMBL106124 3526 29 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL106124 3526 29 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
CHEMBL106124 3526 29 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
5764 3441 35 None 58 2 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 8691422
6604858 3441 35 None 58 2 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 8691422
CHEMBL9843 3441 35 None 58 2 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 8691422
2125 2981 2 None - 1 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 7476898
5311350 2981 2 None - 1 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 7476898
CHEMBL444832 2981 2 None - 1 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 7476898
25195091 1845 4 None -1 2 Human 8.0 pKi = 8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 19117759
5773 1845 4 None -1 2 Human 8.0 pKi = 8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 19117759
CHEMBL480628 1845 4 None -1 2 Human 8.0 pKi = 8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 19117759
44570980 1851 3 None -6 2 Guinea pig 8.1 pKi = 8.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 19879867
5774 1851 3 None -6 2 Guinea pig 8.1 pKi = 8.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 19879867
CHEMBL480249 1851 3 None -6 2 Guinea pig 8.1 pKi = 8.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 19879867
25195091 1845 4 None 1 2 Guinea pig 8.1 pKi = 8.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 19879867
5773 1845 4 None 1 2 Guinea pig 8.1 pKi = 8.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 19879867
CHEMBL480628 1845 4 None 1 2 Guinea pig 8.1 pKi = 8.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 19879867
2132 3687 48 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 11226387
2132 3687 48 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 15265501
2132 3687 48 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 8691422
2132 3687 48 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 9190866
5311424 3687 48 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 11226387
5311424 3687 48 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 15265501
5311424 3687 48 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 8691422
5311424 3687 48 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 9190866
CHEMBL10188 3687 48 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 11226387
CHEMBL10188 3687 48 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 15265501
CHEMBL10188 3687 48 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 8691422
CHEMBL10188 3687 48 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 9190866
23649245 2959 22 None - 1 Human 8.7 pKi = 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 None
5775 2959 22 None - 1 Human 8.7 pKi = 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 None
CHEMBL3545233 2959 22 None - 1 Human 8.7 pKi = 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 None
DB11692 2959 22 None - 1 Human 8.7 pKi = 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 None
5772 3448 0 None - 1 Human 8.7 pKi = 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 440 8 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(OCC(=O)O)c(nc2c1cccc2)c1ccccc1 11752131
9846078 3448 0 None - 1 Human 8.7 pKi = 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 440 8 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(OCC(=O)O)c(nc2c1cccc2)c1ccccc1 11752131
2087 1889 0 None -79 4 Human 8.9 pKi = 8.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
44570980 1851 3 None 6 2 Human 9.0 pKi = 9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 19117759
5774 1851 3 None 6 2 Human 9.0 pKi = 9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 19117759
CHEMBL480249 1851 3 None 6 2 Human 9.0 pKi = 9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 19117759
2110 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11226387
2110 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11757797
2110 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 12206858
2110 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
2110 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7616392
2110 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
2110 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 8702757
2110 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9042606
2110 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9190866
219077 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11226387
219077 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11757797
219077 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 12206858
219077 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
219077 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7616392
219077 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
219077 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 8702757
219077 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9042606
219077 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9190866
3480 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11226387
3480 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11757797
3480 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 12206858
3480 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
3480 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7616392
3480 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
3480 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 8702757
3480 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9042606
3480 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9190866
CHEMBL346178 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11226387
CHEMBL346178 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11757797
CHEMBL346178 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 12206858
CHEMBL346178 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
CHEMBL346178 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7616392
CHEMBL346178 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
CHEMBL346178 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 8702757
CHEMBL346178 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9042606
CHEMBL346178 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9190866
DB04872 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11226387
DB04872 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11757797
DB04872 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 12206858
DB04872 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
DB04872 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7616392
DB04872 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
DB04872 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 8702757
DB04872 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9042606
DB04872 2922 33 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9190866
2113 3045 0 None -1 3 Human 9.2 pKi = 9.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2113 3045 0 None -1 3 Human 9.2 pKi = 9.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
2133 3623 0 None - 1 Human 9.6 pKi = 9.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 620 8 1 3 7.2 CN(C(=O)NC1(CCN(CC1)CCC[C@@]1(CCCN(C1)C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)c1ccccc1)C 12056557
9938990 3623 0 None - 1 Human 9.6 pKi = 9.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 620 8 1 3 7.2 CN(C(=O)NC1(CCN(CC1)CCC[C@@]1(CCCN(C1)C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)c1ccccc1)C 12056557
2110 2922 33 None 1 6 Guinea pig 10.0 pKi = 10.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
219077 2922 33 None 1 6 Guinea pig 10.0 pKi = 10.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
3480 2922 33 None 1 6 Guinea pig 10.0 pKi = 10.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
CHEMBL346178 2922 33 None 1 6 Guinea pig 10.0 pKi = 10.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
DB04872 2922 33 None 1 6 Guinea pig 10.0 pKi = 10.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
2098 3638 31 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2098 3638 31 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
36511 3638 31 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
36511 3638 31 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
3805 3638 31 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
3805 3638 31 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
3835 3638 31 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
3835 3638 31 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
CHEMBL235363 3638 31 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL235363 3638 31 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
2089 2725 21 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2089 2725 21 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
3795 2725 21 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
3795 2725 21 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
5311311 2725 21 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
5311311 2725 21 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
CHEMBL217406 2725 21 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL217406 2725 21 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
104974 3419 27 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 12206858
104974 3419 27 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 9190866
2111 3419 27 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 12206858
2111 3419 27 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 9190866
3481 3419 27 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 12206858
3481 3419 27 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 9190866
CHEMBL308148 3419 27 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 12206858
CHEMBL308148 3419 27 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 9190866
DB06660 3419 27 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 12206858
DB06660 3419 27 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 9190866
2128 1816 0 None - 1 Human 6.0 pKi None 6 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 7534879
25088319 1816 0 None - 1 Human 6.0 pKi None 6 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 7534879
2089 2725 21 None -758 5 Mouse 6.1 pKi None 6.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
3795 2725 21 None -758 5 Mouse 6.1 pKi None 6.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
5311311 2725 21 None -758 5 Mouse 6.1 pKi None 6.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL217406 2725 21 None -758 5 Mouse 6.1 pKi None 6.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2132 3687 48 None -17 6 Rat 7.4 pKi None 7.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 11226387
5311424 3687 48 None -17 6 Rat 7.4 pKi None 7.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 11226387
CHEMBL10188 3687 48 None -17 6 Rat 7.4 pKi None 7.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 11226387
108147 3526 29 None -5 3 Mouse 7.8 pKi None 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2127 3526 29 None -5 3 Mouse 7.8 pKi None 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL106124 3526 29 None -5 3 Mouse 7.8 pKi None 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2103 1613 0 None - 1 Human 8.3 pKi None 8.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1378096
6437864 1613 0 None - 1 Human 8.3 pKi None 8.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1378096
2090 2726 20 None 1 4 Human 8.5 pKi None 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2090 2726 20 None 1 4 Human 8.5 pKi None 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
5311312 2726 20 None 1 4 Human 8.5 pKi None 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
5311312 2726 20 None 1 4 Human 8.5 pKi None 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
CHEMBL437797 2726 20 None 1 4 Human 8.5 pKi None 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL437797 2726 20 None 1 4 Human 8.5 pKi None 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
2090 2726 20 None -1 4 Mouse 8.7 pKi None 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
5311312 2726 20 None -1 4 Mouse 8.7 pKi None 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL437797 2726 20 None -1 4 Mouse 8.7 pKi None 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2113 3045 0 None 1 3 Mouse 9.2 pKi None 9.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2087 1889 0 None -31 4 Mouse 9.3 pKi None 9.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2106 3490 3 None 1 3 Human 9.5 pKi None 9.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 711 12 1 6 6.4 CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C 12206858
9875034 3490 3 None 1 3 Human 9.5 pKi None 9.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 711 12 1 6 6.4 CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C 12206858
CHEMBL77023 3490 3 None 1 3 Human 9.5 pKi None 9.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 711 12 1 6 6.4 CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C 12206858