Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common 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 |
CHEMBL2165920 | 207588 | 23 | None | -21 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300535s | ||||
CHEMBL5085013 | 213170 | 0 | None | -1 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL5085013 | 213170 | 0 | None | -1 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
44542330 | 196295 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 312 | 3 | 3 | 3 | 3.3 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)s1 | 10.1021/jm9011998 | ||
CHEMBL573518 | 196295 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 312 | 3 | 3 | 3 | 3.3 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)s1 | 10.1021/jm9011998 | ||
44542328 | 196440 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4785076 | 196440 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL574565 | 196440 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/acs.jmedchem.0c00643 | ||
123797 | 2751 | 23 | None | -5 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.01.003 | ||||
1479 | 2751 | 23 | None | -5 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.01.003 | ||||
CHEMBL429731 | 2751 | 23 | None | -5 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.01.003 | ||||
44542326 | 196221 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 270 | 4 | 3 | 3 | 2.9 | CC(C)c1ccccc1-c1ccc(/C=N/NC(=N)N)o1 | 10.1021/jm9011998 | ||
CHEMBL572825 | 196221 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 270 | 4 | 3 | 3 | 2.9 | CC(C)c1ccccc1-c1ccc(/C=N/NC(=N)N)o1 | 10.1021/jm9011998 | ||
44542176 | 196271 | 1 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4784123 | 196271 | 1 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL573297 | 196271 | 1 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL2165920 | 207588 | 23 | None | -21 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300535s | ||||
162670510 | 182396 | 0 | None | 12 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4793250 | 182396 | 0 | None | 12 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162670510 | 182396 | 0 | None | 12 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4793250 | 182396 | 0 | None | 12 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL5091560 | 213540 | 0 | None | -4 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL5091560 | 213540 | 0 | None | -4 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
162644880 | 178868 | 0 | None | -2 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4740521 | 178868 | 0 | None | -2 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162644880 | 178868 | 0 | None | -2 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4740521 | 178868 | 0 | None | -2 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
118724977 | 115997 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361416 | 115997 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL5090298 | 213482 | 0 | None | -3 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
118735685 | 118382 | 0 | None | -141 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1765 | 61 | 21 | 21 | 3.0 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cn([C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)nn1)C(=O)O | 10.1021/jm5019675 | ||
CHEMBL3422516 | 118382 | 0 | None | -141 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1765 | 61 | 21 | 21 | 3.0 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cn([C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)nn1)C(=O)O | 10.1021/jm5019675 | ||
CHEMBL5090298 | 213482 | 0 | None | -3 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
44542178 | 197083 | 4 | None | -2 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/jm300535s | ||
CHEMBL4794542 | 197083 | 4 | None | -2 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/jm300535s | ||
CHEMBL583068 | 197083 | 4 | None | -2 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/jm300535s | ||
162649206 | 179403 | 0 | None | 7 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4746919 | 179403 | 0 | None | 7 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162649206 | 179403 | 0 | None | 7 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4746919 | 179403 | 0 | None | 7 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
101882820 | 116014 | 0 | None | -4 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 443 | 8 | 4 | 3 | 3.3 | N=C(N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361433 | 116014 | 0 | None | -4 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 443 | 8 | 4 | 3 | 3.3 | N=C(N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
123797 | 2751 | 23 | None | -5 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
1479 | 2751 | 23 | None | -5 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL429731 | 2751 | 23 | None | -5 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
123797 | 2751 | 23 | None | -5 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
1479 | 2751 | 23 | None | -5 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL429731 | 2751 | 23 | None | -5 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL5086601 | 213266 | 0 | None | -1 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL5086601 | 213266 | 0 | None | -1 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
162643991 | 181216 | 0 | None | -14 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1126 | 32 | 14 | 14 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4777999 | 181216 | 0 | None | -14 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1126 | 32 | 14 | 14 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162643991 | 181216 | 0 | None | -14 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1126 | 32 | 14 | 14 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4777999 | 181216 | 0 | None | -14 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1126 | 32 | 14 | 14 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL2165920 | 207588 | 23 | None | -21 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
162643968 | 181201 | 0 | None | -7 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1115 | 32 | 14 | 14 | -2.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4777803 | 181201 | 0 | None | -7 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1115 | 32 | 14 | 14 | -2.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162643968 | 181201 | 0 | None | -7 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1115 | 32 | 14 | 14 | -2.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4777803 | 181201 | 0 | None | -7 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1115 | 32 | 14 | 14 | -2.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL2165920 | 207588 | 23 | None | -21 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300535s | ||||
44542332 | 196296 | 0 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 309 | 3 | 3 | 3 | 2.5 | Cn1c(/C=N/NC(=N)N)ccc1-c1ccccc1C(F)(F)F | 10.1021/jm9011998 | ||
CHEMBL573519 | 196296 | 0 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 309 | 3 | 3 | 3 | 2.5 | Cn1c(/C=N/NC(=N)N)ccc1-c1ccccc1C(F)(F)F | 10.1021/jm9011998 | ||
162666603 | 181804 | 0 | None | -26 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1128 | 33 | 16 | 15 | -5.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4785222 | 181804 | 0 | None | -26 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1128 | 33 | 16 | 15 | -5.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
44542178 | 197083 | 4 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4794542 | 197083 | 4 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL583068 | 197083 | 4 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c00643 | ||
162666603 | 181804 | 0 | None | -26 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1128 | 33 | 16 | 15 | -5.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4785222 | 181804 | 0 | None | -26 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1128 | 33 | 16 | 15 | -5.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162648597 | 179179 | 0 | None | 3 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4744365 | 179179 | 0 | None | 3 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162648597 | 179179 | 0 | None | 3 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4744365 | 179179 | 0 | None | 3 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
101882819 | 1082 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 10.1021/jm500989n | ||
11235 | 1082 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 10.1021/jm500989n | ||
CHEMBL3361425 | 1082 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 10.1021/jm500989n | ||
162668843 | 182007 | 0 | None | -2 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4788060 | 182007 | 0 | None | -2 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162668843 | 182007 | 0 | None | -2 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4788060 | 182007 | 0 | None | -2 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162651091 | 179652 | 0 | None | -1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4750006 | 179652 | 0 | None | -1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162651091 | 179652 | 0 | None | -1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4750006 | 179652 | 0 | None | -1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
44542328 | 196440 | 0 | None | 2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/jm9011998 | ||
CHEMBL4785076 | 196440 | 0 | None | 2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/jm9011998 | ||
CHEMBL574565 | 196440 | 0 | None | 2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/jm9011998 | ||
CHEMBL2165920 | 207588 | 23 | None | -21 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300535s | ||||
CHEMBL5094675 | 213733 | 0 | None | -3 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL5094675 | 213733 | 0 | None | -3 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
60168134 | 81697 | 0 | None | -3 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 374 | 3 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 | 10.1021/jm300535s | ||
CHEMBL2165921 | 81697 | 0 | None | -3 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 374 | 3 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 | 10.1021/jm300535s | ||
1486 | 3271 | 23 | None | -1 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm300535s | ||||
53320361 | 3271 | 23 | None | -1 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm300535s | ||||
CHEMBL1672380 | 3271 | 23 | None | -1 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm300535s | ||||
118724536 | 115940 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 481 | 11 | 5 | 4 | 2.3 | CC(=N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm500989n | ||
CHEMBL3360829 | 115940 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 481 | 11 | 5 | 4 | 2.3 | CC(=N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm500989n | ||
1486 | 3271 | 23 | None | -1 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.0c00643 | ||||
53320361 | 3271 | 23 | None | -1 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL1672380 | 3271 | 23 | None | -1 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL2165920 | 207588 | 23 | None | -21 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
CHEMBL5086463 | 213257 | 0 | None | -2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
44542176 | 196271 | 1 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/jm300535s | ||
CHEMBL4784123 | 196271 | 1 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/jm300535s | ||
CHEMBL573297 | 196271 | 1 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/jm300535s | ||
CHEMBL5086463 | 213257 | 0 | None | -2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
162668623 | 182035 | 0 | None | -1 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1097 | 31 | 14 | 13 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4788431 | 182035 | 0 | None | -1 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1097 | 31 | 14 | 13 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162668623 | 182035 | 0 | None | -1 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1097 | 31 | 14 | 13 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4788431 | 182035 | 0 | None | -1 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1097 | 31 | 14 | 13 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
60168134 | 81697 | 0 | None | -3 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 374 | 3 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 | 10.1021/jm300535s | ||
CHEMBL2165921 | 81697 | 0 | None | -3 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 374 | 3 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 | 10.1021/jm300535s | ||
CHEMBL5085455 | 213195 | 0 | None | -14 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL5085455 | 213195 | 0 | None | -14 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
162647830 | 179261 | 0 | None | -3 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4745148 | 179261 | 0 | None | -3 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162647830 | 179261 | 0 | None | -3 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4745148 | 179261 | 0 | None | -3 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162647830 | 179261 | 0 | None | -3 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4745148 | 179261 | 0 | None | -3 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
162647830 | 179261 | 0 | None | -3 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4745148 | 179261 | 0 | None | -3 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162647830 | 179261 | 0 | None | -3 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4745148 | 179261 | 0 | None | -3 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162666625 | 181663 | 0 | None | -134 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1228 | 33 | 14 | 14 | -1.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4783555 | 181663 | 0 | None | -134 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1228 | 33 | 14 | 14 | -1.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
162658841 | 180430 | 0 | None | -15 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1172 | 35 | 15 | 15 | -3.2 | CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4759079 | 180430 | 0 | None | -15 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1172 | 35 | 15 | 15 | -3.2 | CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162658841 | 180430 | 0 | None | -15 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1172 | 35 | 15 | 15 | -3.2 | CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4759079 | 180430 | 0 | None | -15 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1172 | 35 | 15 | 15 | -3.2 | CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162677056 | 182972 | 0 | None | 2 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4800237 | 182972 | 0 | None | 2 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162677056 | 182972 | 0 | None | 2 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4800237 | 182972 | 0 | None | 2 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL2165920 | 207588 | 23 | None | -21 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300535s | ||||
1486 | 3271 | 23 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm300535s | ||||
53320361 | 3271 | 23 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm300535s | ||||
CHEMBL1672380 | 3271 | 23 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm300535s | ||||
CHEMBL2165920 | 207588 | 23 | None | -21 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300535s | ||||
162659824 | 180628 | 0 | None | -4 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4761246 | 180628 | 0 | None | -4 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
44542324 | 196323 | 0 | None | 1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 242 | 3 | 3 | 3 | 2.1 | Cc1ccccc1-c1ccc(/C=N/NC(=N)N)o1 | 10.1021/jm9011998 | ||
CHEMBL573738 | 196323 | 0 | None | 1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 242 | 3 | 3 | 3 | 2.1 | Cc1ccccc1-c1ccc(/C=N/NC(=N)N)o1 | 10.1021/jm9011998 | ||
162659824 | 180628 | 0 | None | -4 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4761246 | 180628 | 0 | None | -4 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
44542320 | 196515 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 306 | 3 | 3 | 2 | 3.2 | N=C(N)N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm9011998 | ||
CHEMBL575058 | 196515 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 306 | 3 | 3 | 2 | 3.2 | N=C(N)N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm9011998 | ||
162670764 | 182369 | 0 | None | -31 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1041 | 29 | 14 | 13 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4792870 | 182369 | 0 | None | -31 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1041 | 29 | 14 | 13 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162670764 | 182369 | 0 | None | -31 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1041 | 29 | 14 | 13 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4792870 | 182369 | 0 | None | -31 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1041 | 29 | 14 | 13 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL5082892 | 213058 | 0 | None | 1 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL2165920 | 207588 | 23 | None | -21 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300535s | ||||
CHEMBL5082892 | 213058 | 0 | None | 1 | 5 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
162654268 | 180093 | 0 | None | -7 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1126 | 33 | 15 | 14 | -3.7 | CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4755334 | 180093 | 0 | None | -7 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1126 | 33 | 15 | 14 | -3.7 | CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162654268 | 180093 | 0 | None | -7 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1126 | 33 | 15 | 14 | -3.7 | CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4755334 | 180093 | 0 | None | -7 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1126 | 33 | 15 | 14 | -3.7 | CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
132941097 | 182686 | 0 | None | -25 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1055 | 29 | 13 | 13 | -3.2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4796596 | 182686 | 0 | None | -25 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1055 | 29 | 13 | 13 | -3.2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
132941097 | 182686 | 0 | None | -25 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1055 | 29 | 13 | 13 | -3.2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4796596 | 182686 | 0 | None | -25 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1055 | 29 | 13 | 13 | -3.2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL2165920 | 207588 | 23 | None | -21 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300535s | ||||
155515973 | 169452 | 0 | None | 1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
CHEMBL4442534 | 169452 | 0 | None | 1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
102509168 | 181079 | 0 | None | 18 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4776204 | 181079 | 0 | None | 18 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1021/acs.jmedchem.0c00643 | ||
1486 | 3271 | 23 | None | -1 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmc.2019.01.003 | ||||
53320361 | 3271 | 23 | None | -1 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmc.2019.01.003 | ||||
CHEMBL1672380 | 3271 | 23 | None | -1 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmc.2019.01.003 | ||||
155520785 | 169941 | 0 | None | -2 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
CHEMBL4449491 | 169941 | 0 | None | -2 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
CHEMBL5085324 | 213190 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
CHEMBL5091013 | 213516 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
1485 | 624 | 27 | None | - | 2 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm300535s | ||
3474 | 624 | 27 | None | - | 2 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm300535s | ||
5311023 | 624 | 27 | None | - | 2 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm300535s | ||
CHEMBL332347 | 624 | 27 | None | - | 2 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm300535s | ||
CHEMBL5085324 | 213190 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
60168135 | 81698 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 220 | 2 | 3 | 2 | 1.7 | N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2 | 10.1021/jm300535s | ||
CHEMBL2165922 | 81698 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 220 | 2 | 3 | 2 | 1.7 | N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2 | 10.1021/jm300535s |
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 |
155461914 | 182239 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1014 | 25 | 10 | 10 | 2.5 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4790994 | 182239 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1014 | 25 | 10 | 10 | 2.5 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O | 10.1021/acs.jmedchem.0c00643 | ||
44542328 | 196440 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4785076 | 196440 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL574565 | 196440 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/acs.jmedchem.0c00643 | ||
44542178 | 197083 | 4 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4794542 | 197083 | 4 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL583068 | 197083 | 4 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL3360830 | 209830 | 0 | None | -6 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](N)Cc1ccc(O)cc1 | 10.1021/jm500989n | ||||
162676940 | 182746 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 897 | 23 | 13 | 10 | -1.0 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4797394 | 182746 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 897 | 23 | 13 | 10 | -1.0 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O | 10.1021/acs.jmedchem.0c00643 | ||
102270377 | 181622 | 0 | None | - | 1 | Rat | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 576 | 12 | 7 | 6 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4782986 | 181622 | 0 | None | - | 1 | Rat | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 576 | 12 | 7 | 6 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL1672379 | 207087 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | ||||
16735569 | 141802 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 798 | 21 | 10 | 7 | 1.3 | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml1002053 | ||
CHEMBL388586 | 141802 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 798 | 21 | 10 | 7 | 1.3 | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml1002053 | ||
1281 | 2157 | 27 | None | - | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | ||||
1283 | 2157 | 27 | None | - | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | ||||
25240297 | 2157 | 27 | None | - | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | ||||
CHEMBL376756 | 2157 | 27 | None | - | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | ||||
25138123 | 178668 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 781 | 21 | 9 | 6 | 2.9 | CC(C)C[C@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml1002053 | ||
CHEMBL472833 | 178668 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 781 | 21 | 9 | 6 | 2.9 | CC(C)C[C@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml1002053 | ||
123797 | 2751 | 23 | None | -1 | 4 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
1479 | 2751 | 23 | None | -1 | 4 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL429731 | 2751 | 23 | None | -1 | 4 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL2165920 | 207588 | 23 | None | 10 | 2 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
123797 | 2751 | 23 | None | -1 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | ||||
1479 | 2751 | 23 | None | -1 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | ||||
CHEMBL429731 | 2751 | 23 | None | -1 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | ||||
71463277 | 83749 | 0 | None | 1819 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208337 | 83749 | 0 | None | 1819 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2165920 | 207588 | 23 | None | 10 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL5093771 | 213669 | 0 | None | 4 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1Br)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
71456101 | 83733 | 0 | None | 60 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208303 | 83733 | 0 | None | 60 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
71463272 | 83732 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 573 | 13 | 6 | 6 | 2.6 | N=C(N)NCCC[C@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208301 | 83732 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 573 | 13 | 6 | 6 | 2.6 | N=C(N)NCCC[C@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
162673140 | 182441 | 0 | None | 37 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 241 | 1 | 2 | 3 | 2.3 | NC1=NC=C(c2ccc(Cl)c(Cl)c2)CN1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4793841 | 182441 | 0 | None | 37 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 241 | 1 | 2 | 3 | 2.3 | NC1=NC=C(c2ccc(Cl)c(Cl)c2)CN1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL2165920 | 207588 | 23 | None | 10 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL414263 | 211370 | 3 | None | -2 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL5082175 | 213019 | 0 | None | 8 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1Br)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
71457909 | 83741 | 0 | None | -2 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 514 | 13 | 6 | 4 | 1.8 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208319 | 83741 | 0 | None | -2 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 514 | 13 | 6 | 4 | 1.8 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
44542176 | 196271 | 1 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4784123 | 196271 | 1 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL573297 | 196271 | 1 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | ||
127041619 | 136609 | 0 | None | -12302 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | -12302 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | -12302 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | -12302 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
102270377 | 181622 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 576 | 12 | 7 | 6 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4782986 | 181622 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 576 | 12 | 7 | 6 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
118724988 | 116008 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 408 | 9 | 5 | 4 | 1.8 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361428 | 116008 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 408 | 9 | 5 | 4 | 1.8 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 | 10.1021/jm500989n | ||
71463276 | 83748 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 454 | 12 | 6 | 5 | 0.3 | COc1cccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208334 | 83748 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 454 | 12 | 6 | 5 | 0.3 | COc1cccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1016/j.bmcl.2012.10.049 | ||
71463279 | 83752 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 424 | 11 | 6 | 4 | 0.3 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208340 | 83752 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 424 | 11 | 6 | 4 | 0.3 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL5091013 | 213516 | 0 | None | 114 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
71454357 | 83744 | 0 | None | 6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208323 | 83744 | 0 | None | 6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
10008757 | 188426 | 0 | None | -7585 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | -7585 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
118724991 | 116012 | 0 | None | 4 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 472 | 8 | 5 | 4 | 2.5 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccc(Br)cc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361431 | 116012 | 0 | None | 4 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 472 | 8 | 5 | 4 | 2.5 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccc(Br)cc2)CC1 | 10.1021/jm500989n | ||
101882820 | 116014 | 0 | None | -3 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 443 | 8 | 4 | 3 | 3.3 | N=C(N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361433 | 116014 | 0 | None | -3 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 443 | 8 | 4 | 3 | 3.3 | N=C(N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
71454353 | 83736 | 0 | None | 3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 11 | 6 | 4 | 1.2 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208306 | 83736 | 0 | None | 3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 11 | 6 | 4 | 1.2 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
118724980 | 116000 | 0 | None | 6 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 10 | 5 | 6 | 1.8 | COc1cc(NC2(CNC(=O)CNC(=N)N)CCN(Cc3ccccc3)CC2)cc(OC)c1 | 10.1021/jm500989n | ||
CHEMBL3361419 | 116000 | 0 | None | 6 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 10 | 5 | 6 | 1.8 | COc1cc(NC2(CNC(=O)CNC(=N)N)CCN(Cc3ccccc3)CC2)cc(OC)c1 | 10.1021/jm500989n | ||
1485 | 624 | 27 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
3474 | 624 | 27 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
5311023 | 624 | 27 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL332347 | 624 | 27 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
9869458 | 92516 | 4 | None | 38 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL2440929 | 92516 | 4 | None | 38 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.0c00643 | ||
71456103 | 83738 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 11 | 6 | 5 | 0.8 | N=C(N)NCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208312 | 83738 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 11 | 6 | 5 | 0.8 | N=C(N)NCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
9920663 | 181175 | 7 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 200 | 1 | 3 | 2 | 1.8 | Cc1cc(NC(=N)N)nc2ccccc12 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4777535 | 181175 | 7 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 200 | 1 | 3 | 2 | 1.8 | Cc1cc(NC(=N)N)nc2ccccc12 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL5091693 | 213548 | 0 | None | 36 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
1486 | 3271 | 23 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.1c00256 | ||||
53320361 | 3271 | 23 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.1c00256 | ||||
CHEMBL1672380 | 3271 | 23 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.1c00256 | ||||
118724990 | 116011 | 0 | None | 3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 444 | 8 | 5 | 4 | 2.9 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361430 | 116011 | 0 | None | 3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 444 | 8 | 5 | 4 | 2.9 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm500989n | ||
71450762 | 83731 | 0 | None | 15 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 514 | 13 | 6 | 4 | 1.8 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208299 | 83731 | 0 | None | 15 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 514 | 13 | 6 | 4 | 1.8 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
118724986 | 116006 | 0 | None | -5 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 304 | 6 | 6 | 4 | -0.2 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCNCC1 | 10.1021/jm500989n | ||
CHEMBL3361426 | 116006 | 0 | None | -5 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 304 | 6 | 6 | 4 | -0.2 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCNCC1 | 10.1021/jm500989n | ||
118724985 | 116005 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 9 | 4 | 3 | 2.5 | N=C(N)NCC(=O)NCC1(CCc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361424 | 116005 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 9 | 4 | 3 | 2.5 | N=C(N)NCC(=O)NCC1(CCc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL5088703 | 213396 | 0 | None | 35 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | C[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
136998789 | 115994 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 656 | 8 | 4 | 7 | 6.8 | CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1cccc(C(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)c1 | 10.1021/jm500989n | ||
CHEMBL3361413 | 115994 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 656 | 8 | 4 | 7 | 6.8 | CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1cccc(C(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)c1 | 10.1021/jm500989n | ||
118724987 | 116007 | 0 | None | -5 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 400 | 8 | 5 | 4 | 2.1 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(CC2CCCCC2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361427 | 116007 | 0 | None | -5 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 400 | 8 | 5 | 4 | 2.1 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(CC2CCCCC2)CC1 | 10.1021/jm500989n | ||
71454359 | 83746 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208326 | 83746 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
72194631 | 181281 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 483 | 11 | 2 | 3 | 5.1 | O=C(N[C@@H](CCCN1CCCCC1)C(=O)NCCc1ccccc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4778746 | 181281 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 483 | 11 | 2 | 3 | 5.1 | O=C(N[C@@H](CCCN1CCCCC1)C(=O)NCCc1ccccc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.0c00643 | ||
1485 | 624 | 27 | None | -4 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
3474 | 624 | 27 | None | -4 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
5311023 | 624 | 27 | None | -4 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL332347 | 624 | 27 | None | -4 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
118724542 | 115944 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 337 | 6 | 4 | 3 | 2.6 | N=C(N)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3360836 | 115944 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 337 | 6 | 4 | 3 | 2.6 | N=C(N)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
118724982 | 116002 | 0 | None | 2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 462 | 8 | 5 | 4 | 3.0 | N=C(N)NCC(=O)NCC1(Nc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361421 | 116002 | 0 | None | 2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 462 | 8 | 5 | 4 | 3.0 | N=C(N)NCC(=O)NCC1(Nc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
136948074 | 115995 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 656 | 8 | 4 | 7 | 6.8 | CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1ccc(C(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm500989n | ||
CHEMBL3361414 | 115995 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 656 | 8 | 4 | 7 | 6.8 | CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1ccc(C(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm500989n | ||
71461185 | 83129 | 0 | None | 10 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 424 | 11 | 6 | 4 | 0.3 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2204019 | 83129 | 0 | None | 10 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 424 | 11 | 6 | 4 | 0.3 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL414263 | 211370 | 3 | None | -7 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||||
71454358 | 83745 | 0 | None | 46 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208325 | 83745 | 0 | None | 46 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
71463278 | 83750 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208338 | 83750 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
102080626 | 170729 | 0 | None | -107 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1377 | 39 | 15 | 16 | -3.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4460742 | 170729 | 0 | None | -107 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1377 | 39 | 15 | 16 | -3.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
118724981 | 116001 | 0 | None | 4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 424 | 9 | 5 | 5 | 1.7 | COc1cccc(NC2(CNC(=O)CNC(=N)N)CCN(Cc3ccccc3)CC2)c1 | 10.1021/jm500989n | ||
CHEMBL3361420 | 116001 | 0 | None | 4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 424 | 9 | 5 | 5 | 1.7 | COc1cccc(NC2(CNC(=O)CNC(=N)N)CCN(Cc3ccccc3)CC2)c1 | 10.1021/jm500989n | ||
CHEMBL5084208 | 213129 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
1486 | 3271 | 23 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmcl.2012.10.049 | ||||
53320361 | 3271 | 23 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmcl.2012.10.049 | ||||
CHEMBL1672380 | 3271 | 23 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmcl.2012.10.049 | ||||
9955930 | 83751 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 424 | 11 | 6 | 4 | 0.3 | N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208339 | 83751 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 424 | 11 | 6 | 4 | 0.3 | N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
136998790 | 115996 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 670 | 9 | 4 | 7 | 6.7 | CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1ccc(CC(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm500989n | ||
CHEMBL3361415 | 115996 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 670 | 9 | 4 | 7 | 6.7 | CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1ccc(CC(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm500989n | ||
9942758 | 182906 | 2 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 234 | 1 | 3 | 2 | 2.5 | Cc1cc(NC(=N)N)nc2ccc(Cl)cc12 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4799458 | 182906 | 2 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 234 | 1 | 3 | 2 | 2.5 | Cc1cc(NC(=N)N)nc2ccc(Cl)cc12 | 10.1021/acs.jmedchem.0c00643 | ||
118724973 | 115993 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 636 | 11 | 4 | 7 | 5.8 | CC(C)(C)OC(=O)/N=C(\NCCCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C | 10.1021/jm500989n | ||
CHEMBL3361412 | 115993 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 636 | 11 | 4 | 7 | 5.8 | CC(C)(C)OC(=O)/N=C(\NCCCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C | 10.1021/jm500989n | ||
9942758 | 182906 | 2 | None | -1 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 234 | 1 | 3 | 2 | 2.5 | Cc1cc(NC(=N)N)nc2ccc(Cl)cc12 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4799458 | 182906 | 2 | None | -1 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 234 | 1 | 3 | 2 | 2.5 | Cc1cc(NC(=N)N)nc2ccc(Cl)cc12 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL326770 | 209543 | 5 | None | -1 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||||
118724972 | 115021 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 622 | 10 | 4 | 7 | 5.4 | CC(C)(C)OC(=O)/N=C(/NCCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C | 10.1021/jm500989n | ||
CHEMBL3352907 | 115021 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 622 | 10 | 4 | 7 | 5.4 | CC(C)(C)OC(=O)/N=C(/NCCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C | 10.1021/jm500989n | ||
71463275 | 83740 | 0 | None | 11 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 438 | 12 | 6 | 4 | 0.2 | N=C(N)NCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208317 | 83740 | 0 | None | 11 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 438 | 12 | 6 | 4 | 0.2 | N=C(N)NCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
71454352 | 83735 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 482 | 11 | 6 | 4 | 1.2 | N=C(N)NCCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208305 | 83735 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 482 | 11 | 6 | 4 | 1.2 | N=C(N)NCCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
118724539 | 115942 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 465 | 12 | 6 | 5 | 1.9 | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3360833 | 115942 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 465 | 12 | 6 | 5 | 1.9 | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 | 10.1021/jm500989n | ||
118724995 | 116017 | 0 | None | 3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 469 | 9 | 4 | 3 | 3.8 | N=C(N)NCC(=O)NCC1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361436 | 116017 | 0 | None | 3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 469 | 9 | 4 | 3 | 3.8 | N=C(N)NCC(=O)NCC1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
118724543 | 115945 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 7 | 4 | 3 | 2.7 | N=C(N)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3360837 | 115945 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 7 | 4 | 3 | 2.7 | N=C(N)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL2165920 | 207588 | 23 | None | 10 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm500989n | ||||
CHEMBL3360830 | 209830 | 0 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](N)Cc1ccc(O)cc1 | 10.1021/jm500989n | ||||
118724994 | 116016 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 443 | 8 | 4 | 3 | 3.3 | N=C(N)NCC(=O)NCC1(Cc2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361435 | 116016 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 443 | 8 | 4 | 3 | 3.3 | N=C(N)NCC(=O)NCC1(Cc2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
118724977 | 115997 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361416 | 115997 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL5087609 | 213336 | 0 | None | 16 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
118724992 | 116013 | 0 | None | 4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 452 | 9 | 5 | 6 | 1.5 | COC(=O)c1ccc(CN2CCC(CNC(=O)CNC(=N)N)(Nc3ccccc3)CC2)cc1 | 10.1021/jm500989n | ||
CHEMBL3361432 | 116013 | 0 | None | 4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 452 | 9 | 5 | 6 | 1.5 | COC(=O)c1ccc(CN2CCC(CNC(=O)CNC(=N)N)(Nc3ccccc3)CC2)cc1 | 10.1021/jm500989n | ||
118724971 | 115992 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 452 | 8 | 3 | 5 | 3.8 | CC(C)(C)OC(=O)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361411 | 115992 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 452 | 8 | 3 | 5 | 3.8 | CC(C)(C)OC(=O)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
71452593 | 83739 | 0 | None | 12 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 438 | 12 | 6 | 4 | 0.2 | N=C(N)NCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208316 | 83739 | 0 | None | 12 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 438 | 12 | 6 | 4 | 0.2 | N=C(N)NCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
71457908 | 83730 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 463 | 11 | 7 | 4 | 0.7 | N=C(N)NCCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208296 | 83730 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 463 | 11 | 7 | 4 | 0.7 | N=C(N)NCCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL5093184 | 213640 | 0 | None | 38 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
CHEMBL3360830 | 209830 | 0 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](N)Cc1ccc(O)cc1 | 10.1021/jm500989n | ||||
CHEMBL5090293 | 213481 | 0 | None | 47 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
CHEMBL5085324 | 213190 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
CHEMBL326770 | 209543 | 5 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||||
118724984 | 116004 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 393 | 8 | 4 | 3 | 2.1 | N=C(N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361423 | 116004 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 393 | 8 | 4 | 3 | 2.1 | N=C(N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
118724993 | 116015 | 0 | None | -5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 461 | 8 | 4 | 3 | 3.4 | N=C(N)NCC(=O)NCC1(Cc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361434 | 116015 | 0 | None | -5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 461 | 8 | 4 | 3 | 3.4 | N=C(N)NCC(=O)NCC1(Cc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
118724970 | 115991 | 0 | None | 6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 408 | 9 | 5 | 4 | 2.1 | N=C(N)NCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361410 | 115991 | 0 | None | 6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 408 | 9 | 5 | 4 | 2.1 | N=C(N)NCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
118724540 | 115943 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 501 | 11 | 6 | 5 | 3.0 | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm500989n | ||
CHEMBL3360834 | 115943 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 501 | 11 | 6 | 5 | 3.0 | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm500989n | ||
101882818 | 115941 | 0 | None | -144 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 11 | 6 | 5 | 1.8 | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3360832 | 115941 | 0 | None | -144 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 11 | 6 | 5 | 1.8 | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
71457910 | 83742 | 0 | None | 30 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208320 | 83742 | 0 | None | 30 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
71463273 | 83737 | 0 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 482 | 11 | 6 | 4 | 1.2 | N=C(N)NCCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208307 | 83737 | 0 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 482 | 11 | 6 | 4 | 1.2 | N=C(N)NCCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
118724983 | 116003 | 0 | None | 6 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 7 | 4 | 3 | 1.8 | N=C(N)NCC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361422 | 116003 | 0 | None | 6 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 7 | 4 | 3 | 1.8 | N=C(N)NCC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL5076959 | 212700 | 0 | None | 5 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
118724989 | 116009 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 8 | 5 | 4 | 2.9 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1 | 10.1021/jm500989n | ||
CHEMBL3361429 | 116009 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 8 | 5 | 4 | 2.9 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1 | 10.1021/jm500989n | ||
118724536 | 115940 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 481 | 11 | 5 | 4 | 2.3 | CC(=N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm500989n | ||
CHEMBL3360829 | 115940 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 481 | 11 | 5 | 4 | 2.3 | CC(=N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm500989n | ||
102509168 | 181079 | 0 | None | 4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1021/acs.jmedchem.1c00256 | ||
CHEMBL4776204 | 181079 | 0 | None | 4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1021/acs.jmedchem.1c00256 | ||
CHEMBL5082273 | 213026 | 0 | None | 30 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
1486 | 3271 | 23 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.0c00643 | ||||
53320361 | 3271 | 23 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL1672380 | 3271 | 23 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL5085023 | 213172 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
71456104 | 83743 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208322 | 83743 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL5071745 | 212495 | 0 | None | 42 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
CHEMBL5075638 | 212617 | 0 | None | 85 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
162663612 | 181421 | 0 | None | 2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 523 | 11 | 1 | 7 | 4.8 | COc1ccc(CN[C@H]2C[C@@H](C(=O)OCCc3ccc([N+](=O)[O-])cc3)N(Cc3ccccc3Cl)C2)cc1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4780551 | 181421 | 0 | None | 2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 523 | 11 | 1 | 7 | 4.8 | COc1ccc(CN[C@H]2C[C@@H](C(=O)OCCc3ccc([N+](=O)[O-])cc3)N(Cc3ccccc3Cl)C2)cc1 | 10.1021/acs.jmedchem.0c00643 | ||
127041327 | 136607 | 0 | None | -1445 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746851 | 136607 | 0 | None | -1445 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747820 | 136607 | 0 | None | -1445 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL5088429 | 213385 | 0 | None | 70 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
9920663 | 181175 | 7 | None | 1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 200 | 1 | 3 | 2 | 1.8 | Cc1cc(NC(=N)N)nc2ccccc12 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4777535 | 181175 | 7 | None | 1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 200 | 1 | 3 | 2 | 1.8 | Cc1cc(NC(=N)N)nc2ccccc12 | 10.1021/acs.jmedchem.0c00643 | ||
71456101 | 83733 | 0 | None | 60 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||
CHEMBL2208303 | 83733 | 0 | None | 60 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||
CHEMBL5074999 | 212581 | 0 | None | 100 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
CHEMBL414263 | 211370 | 3 | None | -7 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||||
71456102 | 83734 | 0 | None | 23 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||
CHEMBL2208304 | 83734 | 0 | None | 23 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||
CHEMBL5082270 | 213024 | 0 | None | 75 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | ||||
101882819 | 1082 | 0 | None | 2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 10.1021/jm500989n | ||
11235 | 1082 | 0 | None | 2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 10.1021/jm500989n | ||
CHEMBL3361425 | 1082 | 0 | None | 2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 10.1021/jm500989n | ||
71456102 | 83734 | 0 | None | 23 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208304 | 83734 | 0 | None | 23 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
71463271 | 83729 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 474 | 11 | 6 | 4 | 1.4 | N=C(N)NCCC[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
CHEMBL2208294 | 83729 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 474 | 11 | 6 | 4 | 1.4 | N=C(N)NCCC[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | ||
162676733 | 183002 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 11 | 1 | 5 | 4.8 | CCCCCOC(=O)[C@@H]1C[C@H](NCc2ccc(OC)cc2)CN1Cc1ccccc1Cl | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4800557 | 183002 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 11 | 1 | 5 | 4.8 | CCCCCOC(=O)[C@@H]1C[C@H](NCc2ccc(OC)cc2)CN1Cc1ccccc1Cl | 10.1021/acs.jmedchem.0c00643 | ||
118724978 | 115998 | 0 | None | 2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 408 | 9 | 5 | 4 | 1.4 | N=C(N)NCC(=O)NCC1(NCc2ccccc2)CCCN(Cc2ccccc2)C1 | 10.1021/jm500989n | ||
CHEMBL3361417 | 115998 | 0 | None | 2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 408 | 9 | 5 | 4 | 1.4 | N=C(N)NCC(=O)NCC1(NCc2ccccc2)CCCN(Cc2ccccc2)C1 | 10.1021/jm500989n | ||
118724979 | 115999 | 0 | None | 3 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 444 | 8 | 5 | 4 | 2.9 | N=C(N)NCC(=O)NCC1(Nc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361418 | 115999 | 0 | None | 3 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 444 | 8 | 5 | 4 | 2.9 | N=C(N)NCC(=O)NCC1(Nc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
101882819 | 1082 | 0 | None | 2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 25268943 | ||
11235 | 1082 | 0 | None | 2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 25268943 | ||
CHEMBL3361425 | 1082 | 0 | None | 2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 25268943 | ||
1486 | 3271 | 23 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 16407169 | ||||
53320361 | 3271 | 23 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 16407169 | ||||
CHEMBL1672380 | 3271 | 23 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 16407169 | ||||
1478 | 1504 | 0 | None | -199 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
1478 | 1504 | 0 | None | -199 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
4018 | 236 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 20354177 | ||||
4017 | 235 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 20354177 | ||||
123797 | 2751 | 23 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
123797 | 2751 | 23 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
123797 | 2751 | 23 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 17011599 | ||||
1479 | 2751 | 23 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
1479 | 2751 | 23 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
1479 | 2751 | 23 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 17011599 | ||||
CHEMBL429731 | 2751 | 23 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
CHEMBL429731 | 2751 | 23 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
CHEMBL429731 | 2751 | 23 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 17011599 | ||||
4016 | 3273 | 0 | None | 28 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
4016 | 3273 | 0 | None | 28 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
4016 | 3273 | 0 | None | 28 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 17337079 | ||||
1480 | 2954 | 0 | None | -707 | 2 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 11024015 | ||||
1480 | 2954 | 0 | None | -707 | 2 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
1485 | 624 | 27 | None | -4 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 11024015 | ||
1485 | 624 | 27 | None | -4 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 12242085 | ||
1485 | 624 | 27 | None | -4 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 12421602 | ||
3474 | 624 | 27 | None | -4 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 11024015 | ||
3474 | 624 | 27 | None | -4 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 12242085 | ||
3474 | 624 | 27 | None | -4 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 12421602 | ||
5311023 | 624 | 27 | None | -4 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 11024015 | ||
5311023 | 624 | 27 | None | -4 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 12242085 | ||
5311023 | 624 | 27 | None | -4 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 12421602 | ||
CHEMBL332347 | 624 | 27 | None | -4 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 11024015 | ||
CHEMBL332347 | 624 | 27 | None | -4 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 12242085 | ||
CHEMBL332347 | 624 | 27 | None | -4 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 12421602 | ||
132709 | 33 | 0 | None | -3 | 2 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11024015 | ||||
132709 | 33 | 0 | None | -3 | 2 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
132709 | 33 | 0 | None | -3 | 2 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 17011599 | ||||
1477 | 33 | 0 | None | -3 | 2 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11024015 | ||||
1477 | 33 | 0 | None | -3 | 2 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
1477 | 33 | 0 | None | -3 | 2 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 17011599 | ||||
1482 | 4065 | 0 | None | 25 | 2 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
1482 | 4065 | 0 | None | 25 | 2 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
155817415 | 4065 | 0 | None | 25 | 2 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
155817415 | 4065 | 0 | None | 25 | 2 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 |