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 |
44271661 | 161247 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL414185 | 161247 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
44271661 | 161247 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL414185 | 161247 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
44271661 | 161247 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL414185 | 161247 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
10934575 | 202781 | 0 | None | -8 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72441 | 202781 | 0 | None | -8 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
10198532 | 205962 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL95523 | 205962 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
44343236 | 110876 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 243 | 4 | 1 | 5 | 1.7 | c1ccc(-c2ccno2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL327005 | 110876 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 243 | 4 | 1 | 5 | 1.7 | c1ccc(-c2ccno2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
11506641 | 67049 | 3 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 197 | 5 | 1 | 4 | 1.5 | O=[N+]([O-])OCCCc1ccc(O)cc1 | 10.1021/jm0510530 | ||
CHEMBL188760 | 67049 | 3 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 197 | 5 | 1 | 4 | 1.5 | O=[N+]([O-])OCCCc1ccc(O)cc1 | 10.1021/jm0510530 | ||
11645786 | 66950 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 339 | 7 | 1 | 6 | 3.0 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COCCCO[N+](=O)[O-])O2 | 10.1021/jm0510530 | ||
CHEMBL188200 | 66950 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 339 | 7 | 1 | 6 | 3.0 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COCCCO[N+](=O)[O-])O2 | 10.1021/jm0510530 | ||
44411389 | 76804 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 352 | 4 | 0 | 5 | 3.8 | COc1ccc(Cc2nn(C(C)(C)C)c(=O)c3ccccc23)cc1OC | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL207846 | 76804 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 352 | 4 | 0 | 5 | 3.8 | COc1ccc(Cc2nn(C(C)(C)C)c(=O)c3ccccc23)cc1OC | 10.1016/j.bmcl.2006.02.003 | ||
6604803 | 116018 | 2 | None | -194 | 4 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
CHEMBL336161 | 116018 | 2 | None | -194 | 4 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
11684556 | 66869 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 488 | 7 | 1 | 7 | 4.5 | CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
CHEMBL187824 | 66869 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 488 | 7 | 1 | 7 | 4.5 | CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
44574078 | 178184 | 0 | None | -120 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL468711 | 178184 | 0 | None | -120 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
11372301 | 67215 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 376 | 7 | 1 | 7 | 1.9 | O=S(=O)(c1ccccc1)c1c(OCCCc2ccc(O)cc2)no[n+]1[O-] | 10.1021/jm0510530 | ||
CHEMBL189804 | 67215 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 376 | 7 | 1 | 7 | 1.9 | O=S(=O)(c1ccccc1)c1c(OCCCc2ccc(O)cc2)no[n+]1[O-] | 10.1021/jm0510530 | ||
10221081 | 123581 | 1 | None | 10 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 | 10.1021/jm0510530 | ||
CHEMBL363325 | 123581 | 1 | None | 10 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 | 10.1021/jm0510530 | ||
1960 | 2815 | 64 | None | -2 | 13 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
439260 | 2815 | 64 | None | -2 | 13 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
505 | 2815 | 64 | None | -2 | 13 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
CHEMBL1437 | 2815 | 64 | None | -2 | 13 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
DB00368 | 2815 | 64 | None | -2 | 13 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
44362146 | 164382 | 1 | None | -50 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1ccc(-c2ccsc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL422477 | 164382 | 1 | None | -50 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1ccc(-c2ccsc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
11645786 | 66950 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 339 | 7 | 1 | 6 | 3.0 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COCCCO[N+](=O)[O-])O2 | 10.1021/jm0510530 | ||
CHEMBL188200 | 66950 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 339 | 7 | 1 | 6 | 3.0 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COCCCO[N+](=O)[O-])O2 | 10.1021/jm0510530 | ||
44411100 | 76792 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 318 | 2 | 0 | 3 | 3.8 | Cn1nc(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL207779 | 76792 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 318 | 2 | 0 | 3 | 3.8 | Cn1nc(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
2765 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
515 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL13852 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
DB09202 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
2765 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
515 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL13852 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
DB09202 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
22493263 | 97633 | 0 | None | -100 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 270 | 5 | 2 | 6 | 1.4 | CCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL273316 | 97633 | 0 | None | -100 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 270 | 5 | 2 | 6 | 1.4 | CCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
2765 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
515 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL13852 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
DB09202 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
2765 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
515 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL13852 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
DB09202 | 930 | 16 | None | -10 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
44410832 | 76905 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 242 | 6 | 1 | 6 | 0.8 | O=[N+]([O-])OCC(Cc1ccc(O)cc1)[N+](=O)[O-] | 10.1021/jm0510530 | ||
CHEMBL207967 | 76905 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 242 | 6 | 1 | 6 | 0.8 | O=[N+]([O-])OCC(Cc1ccc(O)cc1)[N+](=O)[O-] | 10.1021/jm0510530 | ||
44411312 | 77398 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 3.7 | CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL209043 | 77398 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 3.7 | CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
44449692 | 156443 | 0 | None | -8 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 251 | 2 | 1 | 3 | 3.1 | c1cc(-c2ncco2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
CHEMBL407308 | 156443 | 0 | None | -8 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 251 | 2 | 1 | 3 | 3.1 | c1cc(-c2ncco2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
15959083 | 76653 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 284 | 2 | 0 | 3 | 3.2 | Cn1nc(Cc2ccccc2Cl)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL207120 | 76653 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 284 | 2 | 0 | 3 | 3.2 | Cn1nc(Cc2ccccc2Cl)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
15959085 | 137752 | 1 | None | - | 1 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 300 | 2 | 0 | 3 | 3.7 | Cn1nc(Cc2cccc3ccccc23)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL377068 | 137752 | 1 | None | - | 1 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 300 | 2 | 0 | 3 | 3.7 | Cn1nc(Cc2cccc3ccccc23)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
44574075 | 172008 | 0 | None | -72 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 251 | 2 | 0 | 4 | 2.9 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL448802 | 172008 | 0 | None | -72 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 251 | 2 | 0 | 4 | 2.9 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
44362208 | 35205 | 1 | None | -15 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1csc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL143801 | 35205 | 1 | None | -15 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1csc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
9816515 | 62649 | 0 | None | -5 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL17856 | 62649 | 0 | None | -5 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(03)00050-7 | ||
44329133 | 205967 | 0 | None | -1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 274 | 6 | 3 | 4 | 1.5 | CC(C)CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL95565 | 205967 | 0 | None | -1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 274 | 6 | 3 | 4 | 1.5 | CC(C)CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
44329796 | 206638 | 0 | None | -1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 275 | 7 | 2 | 5 | 2.1 | CCCCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL99559 | 206638 | 0 | None | -1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 275 | 7 | 2 | 5 | 2.1 | CCCCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
11502000 | 139660 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 390 | 5 | 2 | 7 | 1.3 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN(C)Cc1no[n+]([O-])c1C(N)=O)O2 | 10.1021/jm0510530 | ||
CHEMBL380475 | 139660 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 390 | 5 | 2 | 7 | 1.3 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN(C)Cc1no[n+]([O-])c1C(N)=O)O2 | 10.1021/jm0510530 | ||
2146 | 3051 | 63 | None | -26 | 10 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
485 | 3051 | 63 | None | -26 | 10 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
6041 | 3051 | 63 | None | -26 | 10 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
CHEMBL1215 | 3051 | 63 | None | -26 | 10 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
DB00388 | 3051 | 63 | None | -26 | 10 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
9795167 | 107008 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL318544 | 107008 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
44362185 | 120516 | 0 | None | -19 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL356605 | 120516 | 0 | None | -19 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
9795167 | 107008 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL318544 | 107008 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
22493318 | 44504 | 0 | None | -34 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 241 | 4 | 2 | 4 | 2.4 | c1coc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL152155 | 44504 | 0 | None | -34 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 241 | 4 | 2 | 4 | 2.4 | c1coc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
44369351 | 119097 | 0 | None | -8 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 257 | 4 | 2 | 4 | 2.8 | c1csc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL346380 | 119097 | 0 | None | -8 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 257 | 4 | 2 | 4 | 2.8 | c1csc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
9816460 | 119388 | 0 | None | -39 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1ccc(-c2cnccn2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL349082 | 119388 | 0 | None | -39 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1ccc(-c2cnccn2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
44343410 | 11450 | 2 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL118055 | 11450 | 2 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
22493365 | 98012 | 0 | None | -15 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cn[nH]c2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL275844 | 98012 | 0 | None | -15 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cn[nH]c2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
22493258 | 98211 | 0 | None | -5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL277375 | 98211 | 0 | None | -5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
15959081 | 138368 | 5 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.6 | Oc1nnc(Cc2ccccc2Cl)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL378274 | 138368 | 5 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.6 | Oc1nnc(Cc2ccccc2Cl)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
11502000 | 139660 | 0 | None | - | 1 | Rat | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 390 | 5 | 2 | 7 | 1.3 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN(C)Cc1no[n+]([O-])c1C(N)=O)O2 | 10.1021/jm0510530 | ||
CHEMBL380475 | 139660 | 0 | None | - | 1 | Rat | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 390 | 5 | 2 | 7 | 1.3 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN(C)Cc1no[n+]([O-])c1C(N)=O)O2 | 10.1021/jm0510530 | ||
44271932 | 64880 | 0 | None | -31 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL18256 | 64880 | 0 | None | -31 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
22493320 | 4140 | 0 | None | -10 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 246 | 4 | 2 | 4 | 0.8 | CN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL100198 | 4140 | 0 | None | -10 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 246 | 4 | 2 | 4 | 0.8 | CN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
11109088 | 202479 | 0 | None | -6 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70751 | 202479 | 0 | None | -6 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
22493280 | 48011 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL155327 | 48011 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
11140347 | 202828 | 0 | None | -11 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72768 | 202828 | 0 | None | -11 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11669259 | 76985 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 436 | 9 | 1 | 9 | 1.9 | COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O | 10.1021/jm0510530 | ||
CHEMBL208390 | 76985 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 436 | 9 | 1 | 9 | 1.9 | COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O | 10.1021/jm0510530 | ||
15959115 | 201930 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 310 | 4 | 0 | 5 | 2.5 | COc1ccc(Cc2nn(C)c(=O)c3ccccc23)cc1OC | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL67126 | 201930 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 310 | 4 | 0 | 5 | 2.5 | COc1ccc(Cc2nn(C)c(=O)c3ccccc23)cc1OC | 10.1016/j.bmcl.2006.02.003 | ||
22933 | 76360 | 16 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 166 | 5 | 0 | 6 | -0.2 | CC(CO[N+](=O)[O-])O[N+](=O)[O-] | 10.1021/jm0510530 | ||
CHEMBL206527 | 76360 | 16 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 166 | 5 | 0 | 6 | -0.2 | CC(CO[N+](=O)[O-])O[N+](=O)[O-] | 10.1021/jm0510530 | ||
44362149 | 33710 | 0 | None | -5 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2ccns2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL142387 | 33710 | 0 | None | -5 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2ccns2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
9859855 | 60078 | 0 | None | -12 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 254 | 4 | 2 | 4 | 2.1 | Cn1cccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL17492 | 60078 | 0 | None | -12 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 254 | 4 | 2 | 4 | 2.1 | Cn1cccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
22493265 | 61805 | 0 | None | -19 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 284 | 6 | 2 | 6 | 1.8 | CCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL17776 | 61805 | 0 | None | -19 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 284 | 6 | 2 | 6 | 1.8 | CCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
44329701 | 205944 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 275 | 6 | 2 | 5 | 1.9 | CC(C)COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL95398 | 205944 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 275 | 6 | 2 | 5 | 1.9 | CC(C)COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
4038180 | 202 | 11 | None | -457 | 5 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
480 | 202 | 11 | None | -457 | 5 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
CHEMBL109783 | 202 | 11 | None | -457 | 5 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
15959119 | 76703 | 0 | None | 1 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 310 | 4 | 0 | 3 | 3.8 | C=CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL207277 | 76703 | 0 | None | 1 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 310 | 4 | 0 | 3 | 3.8 | C=CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
44574134 | 177929 | 0 | None | -91 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 0 | 4 | 3.0 | Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL466634 | 177929 | 0 | None | -91 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 0 | 4 | 3.0 | Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
44574135 | 188589 | 0 | None | -18 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 268 | 2 | 1 | 3 | 2.8 | Fc1ccc(C2Cc3nccn3C2)c(-c2ccn[nH]2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL511211 | 188589 | 0 | None | -18 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 268 | 2 | 1 | 3 | 2.8 | Fc1ccc(C2Cc3nccn3C2)c(-c2ccn[nH]2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
22493415 | 49703 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 268 | 4 | 3 | 6 | 1.1 | Nc1nccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL156893 | 49703 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 268 | 4 | 3 | 6 | 1.1 | Nc1nccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(01)00822-8 | ||
15959112 | 201838 | 0 | None | 1 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 280 | 2 | 1 | 5 | 2.7 | Oc1nnc(Cc2ccc3c(c2)OCO3)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL66433 | 201838 | 0 | None | 1 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 280 | 2 | 1 | 5 | 2.7 | Oc1nnc(Cc2ccc3c(c2)OCO3)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
15959093 | 76975 | 1 | None | - | 1 | Rat | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 391 | 4 | 0 | 5 | 4.5 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1-c1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL208355 | 76975 | 1 | None | - | 1 | Rat | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 391 | 4 | 0 | 5 | 4.5 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1-c1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmcl.2006.02.003 | ||
22493236 | 60077 | 0 | None | -5 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 242 | 4 | 3 | 5 | 0.9 | c1ccc(-c2nc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL17491 | 60077 | 0 | None | -5 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 242 | 4 | 3 | 5 | 0.9 | c1ccc(-c2nc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
44574986 | 188621 | 0 | None | -7 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 202 | 1 | 0 | 2 | 2.4 | Fc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
CHEMBL511411 | 188621 | 0 | None | -7 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 202 | 1 | 0 | 2 | 2.4 | Fc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
44343244 | 9858 | 0 | None | -5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 241 | 3 | 3 | 4 | 2.0 | Oc1ccc2cccc(NCC3=NCCN3)c2c1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL114669 | 9858 | 0 | None | -5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 241 | 3 | 3 | 4 | 2.0 | Oc1ccc2cccc(NCC3=NCCN3)c2c1 | 10.1016/s0960-894x(02)00753-9 | ||
44362196 | 34265 | 1 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2nccs2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL142871 | 34265 | 1 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2nccs2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
44410820 | 76729 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 186 | 3 | 1 | 5 | -1.5 | CN(C)Cc1no[n+]([O-])c1C(N)=O | 10.1021/jm0510530 | ||
CHEMBL207437 | 76729 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 186 | 3 | 1 | 5 | -1.5 | CN(C)Cc1no[n+]([O-])c1C(N)=O | 10.1021/jm0510530 | ||
22493379 | 206385 | 0 | None | -6 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 5 | 3 | 4 | 1.2 | CC(C)NC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL98016 | 206385 | 0 | None | -6 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 5 | 3 | 4 | 1.2 | CC(C)NC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
9903932 | 59198 | 0 | None | -501 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 284 | 5 | 2 | 6 | 1.9 | CC(C)n1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL17151 | 59198 | 0 | None | -501 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 284 | 5 | 2 | 6 | 1.9 | CC(C)n1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
44449730 | 155567 | 0 | None | -22 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2cn[nH]c2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
CHEMBL406316 | 155567 | 0 | None | -22 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2cn[nH]c2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
44449686 | 95638 | 0 | None | -7 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 267 | 2 | 1 | 3 | 3.6 | c1cc(-c2nccs2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
CHEMBL260116 | 95638 | 0 | None | -7 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 267 | 2 | 1 | 3 | 3.6 | c1cc(-c2nccs2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
11140345 | 202470 | 0 | None | -4 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70692 | 202470 | 0 | None | -4 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
44410938 | 140152 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 354 | 6 | 1 | 6 | 3.4 | CC(C)(C)c1cc(CC(CO[N+](=O)[O-])[N+](=O)[O-])cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
CHEMBL381519 | 140152 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 354 | 6 | 1 | 6 | 3.4 | CC(C)(C)c1cc(CC(CO[N+](=O)[O-])[N+](=O)[O-])cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
44449245 | 94969 | 0 | None | -6 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2ccn[nH]2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
CHEMBL256983 | 94969 | 0 | None | -6 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2ccn[nH]2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
44574877 | 177966 | 0 | None | -23 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.7 | COc1ccccc1C1CCc2nc[nH]c2C1 | 10.1016/j.bmcl.2009.03.162 | ||
CHEMBL466869 | 177966 | 0 | None | -23 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.7 | COc1ccccc1C1CCc2nc[nH]c2C1 | 10.1016/j.bmcl.2009.03.162 | ||
11372301 | 67215 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 7 | 1 | 7 | 1.9 | O=S(=O)(c1ccccc1)c1c(OCCCc2ccc(O)cc2)no[n+]1[O-] | 10.1021/jm0510530 | ||
CHEMBL189804 | 67215 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 7 | 1 | 7 | 1.9 | O=S(=O)(c1ccccc1)c1c(OCCCc2ccc(O)cc2)no[n+]1[O-] | 10.1021/jm0510530 | ||
17804479 | 95216 | 16 | None | 1 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
CHEMBL258007 | 95216 | 16 | None | 1 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
44574935 | 172053 | 0 | None | -19 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 218 | 1 | 0 | 2 | 2.9 | Clc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
CHEMBL449284 | 172053 | 0 | None | -19 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 218 | 1 | 0 | 2 | 2.9 | Clc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
749966 | 202089 | 16 | None | 2 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 296 | 4 | 1 | 5 | 2.9 | COc1ccc(Cc2nnc(O)c3ccccc23)cc1OC | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL68230 | 202089 | 16 | None | 2 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 296 | 4 | 1 | 5 | 2.9 | COc1ccc(Cc2nnc(O)c3ccccc23)cc1OC | 10.1016/j.bmcl.2006.02.003 | ||
44574074 | 188879 | 0 | None | -977 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 262 | 2 | 0 | 4 | 2.7 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2cncnc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL513691 | 188879 | 0 | None | -977 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 262 | 2 | 0 | 4 | 2.7 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2cncnc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
22493367 | 65854 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 298 | 7 | 2 | 6 | 2.2 | CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL18436 | 65854 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 298 | 7 | 2 | 6 | 2.2 | CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
22493231 | 205931 | 0 | None | -5 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 286 | 4 | 2 | 4 | 1.7 | O=C(c1ccccc1NCC1=NCCN1)N1CCCCC1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL95333 | 205931 | 0 | None | -5 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 286 | 4 | 2 | 4 | 1.7 | O=C(c1ccccc1NCC1=NCCN1)N1CCCCC1 | 10.1016/s0960-894x(01)00569-8 | ||
11507836 | 66893 | 0 | None | - | 1 | Rat | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 309 | 5 | 1 | 4 | 4.1 | CC(C)(C)c1cc(CCCO[N+](=O)[O-])cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
CHEMBL187933 | 66893 | 0 | None | - | 1 | Rat | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 309 | 5 | 1 | 4 | 4.1 | CC(C)(C)c1cc(CCCO[N+](=O)[O-])cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
22493392 | 46891 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL154298 | 46891 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
11604114 | 76732 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 2.8 | CN(CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1no[n+]([O-])c1C(N)=O | 10.1021/jm0510530 | ||
CHEMBL207448 | 76732 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 2.8 | CN(CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1no[n+]([O-])c1C(N)=O | 10.1021/jm0510530 | ||
12307 | 67010 | 31 | None | - | 1 | Rat | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 105 | 3 | 0 | 3 | 0.6 | CCCO[N+](=O)[O-] | 10.1021/jm0510530 | ||
CHEMBL188554 | 67010 | 31 | None | - | 1 | Rat | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 105 | 3 | 0 | 3 | 0.6 | CCCO[N+](=O)[O-] | 10.1021/jm0510530 | ||
11034737 | 202823 | 0 | None | -7 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72724 | 202823 | 0 | None | -7 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
11522042 | 201984 | 1 | None | 1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 284 | 2 | 0 | 3 | 3.2 | Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL67457 | 201984 | 1 | None | 1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 284 | 2 | 0 | 3 | 3.2 | Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
11615834 | 76686 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 257 | 7 | 1 | 6 | 1.6 | COc1cc(CCCO[N+](=O)[O-])cc(OC)c1O | 10.1021/jm0510530 | ||
CHEMBL207183 | 76686 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 257 | 7 | 1 | 6 | 1.6 | COc1cc(CCCO[N+](=O)[O-])cc(OC)c1O | 10.1021/jm0510530 | ||
11397014 | 122387 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 460 | 5 | 1 | 8 | 2.9 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)O2 | 10.1021/jm0510530 | ||
CHEMBL360593 | 122387 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 460 | 5 | 1 | 8 | 2.9 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)O2 | 10.1021/jm0510530 | ||
13190952 | 76687 | 5 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 286 | 2 | 1 | 3 | 4.1 | Oc1nnc(Cc2cccc3ccccc23)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL207189 | 76687 | 5 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 286 | 2 | 1 | 3 | 4.1 | Oc1nnc(Cc2cccc3ccccc23)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
44369431 | 45099 | 0 | None | -57 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 271 | 4 | 2 | 4 | 3.1 | Cc1ccsc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL152693 | 45099 | 0 | None | -57 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 271 | 4 | 2 | 4 | 3.1 | Cc1ccsc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
11684556 | 66869 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 488 | 7 | 1 | 7 | 4.5 | CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
CHEMBL187824 | 66869 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 488 | 7 | 1 | 7 | 4.5 | CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
15959114 | 75223 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 318 | 2 | 0 | 3 | 3.8 | Cn1nc(Cc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL204632 | 75223 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 318 | 2 | 0 | 3 | 3.8 | Cn1nc(Cc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
44410833 | 140011 | 0 | None | - | 1 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 302 | 8 | 1 | 8 | 0.8 | COc1cc(CC(CO[N+](=O)[O-])[N+](=O)[O-])cc(OC)c1O | 10.1021/jm0510530 | ||
CHEMBL381054 | 140011 | 0 | None | - | 1 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 302 | 8 | 1 | 8 | 0.8 | COc1cc(CC(CO[N+](=O)[O-])[N+](=O)[O-])cc(OC)c1O | 10.1021/jm0510530 | ||
44362194 | 34159 | 1 | None | -10 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 1 | 4 | 2.3 | c1ccc(-c2ccoc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL142784 | 34159 | 1 | None | -10 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 1 | 4 | 2.3 | c1ccc(-c2ccoc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
11098175 | 202469 | 0 | None | -3 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
CHEMBL70691 | 202469 | 0 | None | -3 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
22493352 | 48010 | 0 | None | -2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL155326 | 48010 | 0 | None | -2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
11669259 | 76985 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 436 | 9 | 1 | 9 | 1.9 | COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O | 10.1021/jm0510530 | ||
CHEMBL208390 | 76985 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 436 | 9 | 1 | 9 | 1.9 | COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O | 10.1021/jm0510530 | ||
11000184 | 12941 | 0 | None | -15 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1190038 | 12941 | 0 | None | -15 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL540035 | 12941 | 0 | None | -15 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
15959118 | 76716 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 324 | 5 | 0 | 5 | 3.0 | CCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL207325 | 76716 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 324 | 5 | 0 | 5 | 3.0 | CCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
15959089 | 138796 | 1 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 352 | 7 | 0 | 5 | 3.8 | CCCCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL379270 | 138796 | 1 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 352 | 7 | 0 | 5 | 3.8 | CCCCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
15959111 | 137634 | 2 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 282 | 3 | 1 | 4 | 3.6 | CSc1ccc(Cc2nnc(O)c3ccccc23)cc1 | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL376932 | 137634 | 2 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 282 | 3 | 1 | 4 | 3.6 | CSc1ccc(Cc2nnc(O)c3ccccc23)cc1 | 10.1016/j.bmcl.2006.02.003 | ||
44362195 | 120576 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL357129 | 120576 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
22493343 | 63640 | 0 | None | -31 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 256 | 4 | 2 | 6 | 0.9 | Cn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL18069 | 63640 | 0 | None | -31 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 256 | 4 | 2 | 6 | 0.9 | Cn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
44329790 | 112054 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 247 | 5 | 2 | 5 | 1.3 | CCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL329928 | 112054 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 247 | 5 | 2 | 5 | 1.3 | CCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
9903313 | 172109 | 0 | None | -6 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL450018 | 172109 | 0 | None | -6 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
10103414 | 76184 | 13 | None | 1 | 3 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 159 | 2 | 2 | 5 | -2.1 | NC(=O)c1c(CO)no[n+]1[O-] | 10.1021/jm0510530 | ||
CHEMBL206100 | 76184 | 13 | None | 1 | 3 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 159 | 2 | 2 | 5 | -2.1 | NC(=O)c1c(CO)no[n+]1[O-] | 10.1021/jm0510530 | ||
44449725 | 95743 | 0 | None | -208 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 264 | 2 | 2 | 2 | 3.2 | Cc1n[nH]cc1-c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
CHEMBL260720 | 95743 | 0 | None | -208 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 264 | 2 | 2 | 2 | 3.2 | Cc1n[nH]cc1-c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
44410833 | 140011 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 302 | 8 | 1 | 8 | 0.8 | COc1cc(CC(CO[N+](=O)[O-])[N+](=O)[O-])cc(OC)c1O | 10.1021/jm0510530 | ||
CHEMBL381054 | 140011 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 302 | 8 | 1 | 8 | 0.8 | COc1cc(CC(CO[N+](=O)[O-])[N+](=O)[O-])cc(OC)c1O | 10.1021/jm0510530 | ||
44410832 | 76905 | 0 | None | - | 1 | Rat | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 242 | 6 | 1 | 6 | 0.8 | O=[N+]([O-])OCC(Cc1ccc(O)cc1)[N+](=O)[O-] | 10.1021/jm0510530 | ||
CHEMBL207967 | 76905 | 0 | None | - | 1 | Rat | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 242 | 6 | 1 | 6 | 0.8 | O=[N+]([O-])OCC(Cc1ccc(O)cc1)[N+](=O)[O-] | 10.1021/jm0510530 | ||
44574079 | 188720 | 0 | None | -8 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ccncc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL512289 | 188720 | 0 | None | -8 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ccncc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
11397014 | 122387 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 460 | 5 | 1 | 8 | 2.9 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)O2 | 10.1021/jm0510530 | ||
CHEMBL360593 | 122387 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 460 | 5 | 1 | 8 | 2.9 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)O2 | 10.1021/jm0510530 | ||
11108001 | 10771 | 2 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL117248 | 10771 | 2 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL540542 | 10771 | 2 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
44574045 | 188697 | 0 | None | -60 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 260 | 2 | 0 | 2 | 3.9 | c1ccc(-c2ccccc2[C@@H]2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.166 | ||
CHEMBL512062 | 188697 | 0 | None | -60 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 260 | 2 | 0 | 2 | 3.9 | c1ccc(-c2ccccc2[C@@H]2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.166 | ||
12764879 | 177848 | 0 | None | -100 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.2 | c1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
CHEMBL465963 | 177848 | 0 | None | -100 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.2 | c1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
11604114 | 76732 | 0 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 2.8 | CN(CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1no[n+]([O-])c1C(N)=O | 10.1021/jm0510530 | ||
CHEMBL207448 | 76732 | 0 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 2.8 | CN(CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1no[n+]([O-])c1C(N)=O | 10.1021/jm0510530 | ||
44343247 | 110146 | 0 | None | -15 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL325745 | 110146 | 0 | None | -15 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
22493224 | 206604 | 4 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 246 | 5 | 3 | 4 | 0.9 | CCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL99362 | 206604 | 4 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 246 | 5 | 3 | 4 | 0.9 | CCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
104452 | 201412 | 66 | None | 4 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.6 | Oc1nnc(Cc2ccc(Cl)cc2)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL63976 | 201412 | 66 | None | 4 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.6 | Oc1nnc(Cc2ccc(Cl)cc2)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
44352155 | 116308 | 0 | None | -100 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 251 | 4 | 2 | 3 | 2.8 | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL337862 | 116308 | 0 | None | -100 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 251 | 4 | 2 | 3 | 2.8 | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | ||
11108001 | 10771 | 2 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL117248 | 10771 | 2 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL540542 | 10771 | 2 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
22493289 | 49420 | 0 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL156661 | 49420 | 0 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
124 | 2933 | 44 | None | -4168 | 21 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
2032 | 2933 | 44 | None | -4168 | 21 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
4636 | 2933 | 44 | None | -4168 | 21 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
CHEMBL762 | 2933 | 44 | None | -4168 | 21 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
DB00935 | 2933 | 44 | None | -4168 | 21 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
11097789 | 102524 | 0 | None | -1 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL306792 | 102524 | 0 | None | -1 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
44411120 | 76185 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 296 | 3 | 0 | 4 | 3.2 | CSc1ccc(Cc2nn(C)c(=O)c3ccccc23)cc1 | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL206101 | 76185 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 296 | 3 | 0 | 4 | 3.2 | CSc1ccc(Cc2nn(C)c(=O)c3ccccc23)cc1 | 10.1016/j.bmcl.2006.02.003 | ||
15959084 | 202111 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 294 | 2 | 0 | 5 | 2.3 | Cn1nc(Cc2ccc3c(c2)OCO3)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL68362 | 202111 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 294 | 2 | 0 | 5 | 2.3 | Cn1nc(Cc2ccc3c(c2)OCO3)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
15959121 | 76679 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 336 | 6 | 0 | 5 | 3.2 | C=CCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
CHEMBL207170 | 76679 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 336 | 6 | 0 | 5 | 3.2 | C=CCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
127044912 | 139898 | 0 | None | 26 | 3 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 501 | 14 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809093 | 139898 | 0 | None | 26 | 3 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 501 | 14 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
129211 | 3692 | 75 | None | -1 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
2562 | 3692 | 75 | None | -1 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
488 | 3692 | 75 | None | -1 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
CHEMBL836 | 3692 | 75 | None | -1 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
DB00706 | 3692 | 75 | None | -1 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
123667086 | 139869 | 0 | None | 8 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 573 | 13 | 3 | 6 | 3.8 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Br)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3808726 | 139869 | 0 | None | 8 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 573 | 13 | 3 | 6 | 3.8 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Br)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
124018870 | 139881 | 0 | None | 7 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1ccc(F)cc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3808896 | 139881 | 0 | None | 7 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1ccc(F)cc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
123387804 | 139891 | 0 | None | 52 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 423 | 12 | 3 | 5 | 3.3 | CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3808999 | 139891 | 0 | None | 52 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 423 | 12 | 3 | 5 | 3.3 | CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
127044911 | 139918 | 0 | None | 10 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 425 | 12 | 3 | 6 | 2.7 | COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809319 | 139918 | 0 | None | 10 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 425 | 12 | 3 | 6 | 2.7 | COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
123562321 | 139981 | 0 | None | -1 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3810110 | 139981 | 0 | None | -1 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
129211 | 3692 | 75 | None | -1 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
2562 | 3692 | 75 | None | -1 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
488 | 3692 | 75 | None | -1 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
CHEMBL836 | 3692 | 75 | None | -1 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
DB00706 | 3692 | 75 | None | -1 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
127045050 | 139863 | 0 | None | 5 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 503 | 14 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3808632 | 139863 | 0 | None | 5 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 503 | 14 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
127044916 | 139952 | 0 | None | -1 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809676 | 139952 | 0 | None | -1 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
145946682 | 167013 | 0 | None | 10 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 444 | 7 | 0 | 3 | 5.6 | Fc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
CHEMBL4225239 | 167013 | 0 | None | 10 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 444 | 7 | 0 | 3 | 5.6 | Fc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
CHEMBL4300633 | 167013 | 0 | None | 10 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 444 | 7 | 0 | 3 | 5.6 | Fc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
11536337 | 72266 | 1 | None | - | 1 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1oc2ccc(O)cc2cc1-c1cc(O)cc(O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
CHEMBL199397 | 72266 | 1 | None | - | 1 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1oc2ccc(O)cc2cc1-c1cc(O)cc(O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
117839022 | 140001 | 0 | None | -407 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3810346 | 140001 | 0 | None | -407 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
9891967 | 107039 | 33 | None | -4 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3187195 | 107039 | 33 | None | -4 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
123472560 | 139964 | 0 | None | -616 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809840 | 139964 | 0 | None | -616 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
123688273 | 139951 | 0 | None | -36 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 513 | 13 | 3 | 6 | 3.2 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809630 | 139951 | 0 | None | -36 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 513 | 13 | 3 | 6 | 3.2 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
134147190 | 149266 | 0 | None | -3 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 334 | 0 | 2 | 4 | 3.3 | Oc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
CHEMBL3948551 | 149266 | 0 | None | -3 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 334 | 0 | 2 | 4 | 3.3 | Oc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
127044894 | 139837 | 0 | None | -3 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 427 | 12 | 3 | 6 | 2.1 | COc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3808408 | 139837 | 0 | None | -3 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 427 | 12 | 3 | 6 | 2.1 | COc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
9913616 | 139853 | 4 | None | -8 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 493 | 13 | 3 | 6 | 3.7 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3808572 | 139853 | 4 | None | -8 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 493 | 13 | 3 | 6 | 3.7 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
123752717 | 139940 | 0 | None | -26 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1cc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(C)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809500 | 139940 | 0 | None | -26 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1cc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(C)c1 | 10.1021/acs.jmedchem.5b02023 | ||
123475619 | 139961 | 0 | None | -43 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 12 | 3 | 6 | 3.5 | COc1cc(Br)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809794 | 139961 | 0 | None | -43 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 12 | 3 | 6 | 3.5 | COc1cc(Br)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
123204312 | 139942 | 0 | None | -74 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 425 | 11 | 3 | 5 | 2.7 | Cc1cccc(C)c1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809532 | 139942 | 0 | None | -74 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 425 | 11 | 3 | 5 | 2.7 | Cc1cccc(C)c1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
156767238 | 182755 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 435 | 10 | 1 | 5 | 4.3 | COc1ccccc1N1CCN(CCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
CHEMBL4797460 | 182755 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 435 | 10 | 1 | 5 | 4.3 | COc1ccccc1N1CCN(CCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
156767231 | 182720 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 453 | 10 | 1 | 4 | 5.3 | O=C(O)CCCc1cn(CCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12 | 10.1016/j.ejmech.2020.112616 | ||
CHEMBL4797051 | 182720 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 453 | 10 | 1 | 4 | 5.3 | O=C(O)CCCc1cn(CCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12 | 10.1016/j.ejmech.2020.112616 | ||
156767236 | 182375 | 0 | None | -9 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 449 | 11 | 1 | 5 | 4.7 | COc1ccccc1N1CCN(CCCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
CHEMBL4792905 | 182375 | 0 | None | -9 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 449 | 11 | 1 | 5 | 4.7 | COc1ccccc1N1CCN(CCCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
123437117 | 139839 | 0 | None | -23 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 461 | 12 | 3 | 6 | 2.8 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3808417 | 139839 | 0 | None | -23 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 461 | 12 | 3 | 6 | 2.8 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
445154 | 3268 | 122 | None | 1 | 2 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 3 | 3.0 | Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O | 10.1016/j.bmcl.2005.10.013 | ||
8741 | 3268 | 122 | None | 1 | 2 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 3 | 3.0 | Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O | 10.1016/j.bmcl.2005.10.013 | ||
CHEMBL165 | 3268 | 122 | None | 1 | 2 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 3 | 3.0 | Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O | 10.1016/j.bmcl.2005.10.013 | ||
DB02709 | 3268 | 122 | None | 1 | 2 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 3 | 3.0 | Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O | 10.1016/j.bmcl.2005.10.013 | ||
10160408 | 139910 | 0 | None | -1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 439 | 13 | 3 | 6 | 3.1 | CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809248 | 139910 | 0 | None | -1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 439 | 13 | 3 | 6 | 3.1 | CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
123415538 | 139847 | 0 | None | -8 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 491 | 11 | 3 | 5 | 3.6 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3808511 | 139847 | 0 | None | -8 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 491 | 11 | 3 | 5 | 3.6 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
10606263 | 141019 | 0 | None | 81 | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(CNCCCCCCNCCSSCCNCCCCCCNCc5ccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)cc5)cc4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
CHEMBL384790 | 141019 | 0 | None | 81 | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(CNCCCCCCNCCSSCCNCCCCCCNCc5ccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)cc5)cc4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
76071739 | 142265 | 0 | None | -501 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
CHEMBL3892879 | 142265 | 0 | None | -501 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
10630100 | 96153 | 0 | None | 186 | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccccc4CNCCCCCCNCCSSCCNCCCCCCNCc4ccccc4C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
CHEMBL263289 | 96153 | 0 | None | 186 | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccccc4CNCCCCCCNCCSSCCNCCCCCCNCc4ccccc4C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
4151 | 3550 | 85 | None | -7 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
493 | 3550 | 85 | None | -7 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
5312125 | 3550 | 85 | None | -7 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL24778 | 3550 | 85 | None | -7 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
DB06207 | 3550 | 85 | None | -7 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
123368349 | 139903 | 0 | None | -95 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 505 | 12 | 3 | 6 | 2.9 | COc1cc(Br)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809175 | 139903 | 0 | None | -95 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 505 | 12 | 3 | 6 | 2.9 | COc1cc(Br)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
145946986 | 167044 | 0 | None | 3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 460 | 7 | 0 | 3 | 6.2 | Clc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
CHEMBL4227241 | 167044 | 0 | None | 3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 460 | 7 | 0 | 3 | 6.2 | Clc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
CHEMBL4300995 | 167044 | 0 | None | 3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 460 | 7 | 0 | 3 | 6.2 | Clc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
10034371 | 165427 | 0 | None | 676 | 3 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CNCCCCCCNCCSSCCNCCCCCCNCc4ccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)cc4)cc3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
CHEMBL1203235 | 165427 | 0 | None | 676 | 3 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CNCCCCCCNCCSSCCNCCCCCCNCc4ccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)cc4)cc3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
CHEMBL425267 | 165427 | 0 | None | 676 | 3 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CNCCCCCCNCCSSCCNCCCCCCNCc4ccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)cc4)cc3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
123141715 | 140005 | 0 | None | -2 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 459 | 12 | 3 | 6 | 3.4 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3810401 | 140005 | 0 | None | -2 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 459 | 12 | 3 | 6 | 3.4 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
156767234 | 182014 | 0 | None | -10 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 467 | 11 | 1 | 4 | 5.7 | O=C(O)CCCc1cn(CCCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12 | 10.1016/j.ejmech.2020.112616 | ||
CHEMBL4788144 | 182014 | 0 | None | -10 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 467 | 11 | 1 | 4 | 5.7 | O=C(O)CCCc1cn(CCCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12 | 10.1016/j.ejmech.2020.112616 | ||
123311113 | 139991 | 0 | None | -91 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 523 | 14 | 3 | 6 | 3.6 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3810187 | 139991 | 0 | None | -91 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 523 | 14 | 3 | 6 | 3.6 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1 | 10.1021/acs.jmedchem.5b02023 | ||
127044893 | 139878 | 0 | None | -2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 11 | 3 | 5 | 2.4 | Cc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3808878 | 139878 | 0 | None | -2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 11 | 3 | 5 | 2.4 | Cc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
127043026 | 139917 | 0 | None | -8 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809314 | 139917 | 0 | None | -8 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
156767239 | 181818 | 0 | None | -38 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 463 | 12 | 1 | 5 | 5.1 | COc1ccccc1N1CCN(CCCCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
CHEMBL4785526 | 181818 | 0 | None | -38 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 463 | 12 | 1 | 5 | 5.1 | COc1ccccc1N1CCN(CCCCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
123986550 | 139868 | 0 | None | -223 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 521 | 14 | 3 | 6 | 4.2 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3808717 | 139868 | 0 | None | -223 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 521 | 14 | 3 | 6 | 4.2 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
44406314 | 72493 | 0 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1oc2cc(O)ccc2cc1-c1cc(O)cc(O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
CHEMBL200198 | 72493 | 0 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1oc2cc(O)ccc2cc1-c1cc(O)cc(O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
44406313 | 72369 | 3 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 298 | 3 | 1 | 5 | 3.2 | COc1cc(OC)cc(-c2cc3ccc(O)cc3oc2=O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
CHEMBL199788 | 72369 | 3 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 298 | 3 | 1 | 5 | 3.2 | COc1cc(OC)cc(-c2cc3ccc(O)cc3oc2=O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
10034370 | 156450 | 0 | None | 10 | 3 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCSSCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
CHEMBL1203232 | 156450 | 0 | None | 10 | 3 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCSSCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
CHEMBL407315 | 156450 | 0 | None | 10 | 3 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCSSCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
134142282 | 145157 | 0 | None | -229 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
CHEMBL3916182 | 145157 | 0 | None | -229 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
123644751 | 139973 | 0 | None | -125 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3810005 | 139973 | 0 | None | -125 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
44406275 | 72410 | 0 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 312 | 4 | 0 | 5 | 3.5 | COc1cc(OC)cc(-c2cc3cc(OC)ccc3oc2=O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
CHEMBL199904 | 72410 | 0 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 312 | 4 | 0 | 5 | 3.5 | COc1cc(OC)cc(-c2cc3cc(OC)ccc3oc2=O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
123378354 | 139857 | 0 | None | -6 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 493 | 11 | 3 | 5 | 3.0 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3808595 | 139857 | 0 | None | -6 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 493 | 11 | 3 | 5 | 3.0 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
145947047 | 167074 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 7 | 0 | 2 | 6.6 | c1ccc(C2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
CHEMBL4227513 | 167074 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 7 | 0 | 2 | 6.6 | c1ccc(C2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
CHEMBL4301557 | 167074 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 7 | 0 | 2 | 6.6 | c1ccc(C2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
127044906 | 139888 | 0 | None | -7 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3808981 | 139888 | 0 | None | -7 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
123322716 | 139993 | 0 | None | -17 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 12 | 3 | 5 | 2.7 | CCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3810198 | 139993 | 0 | None | -17 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 12 | 3 | 5 | 2.7 | CCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
86344174 | 139938 | 0 | None | -251 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809490 | 139938 | 0 | None | -251 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
123183757 | 139947 | 0 | None | -10 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1cc(F)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809600 | 139947 | 0 | None | -10 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1cc(F)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
44347716 | 16132 | 0 | None | 3 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1 | 10.1021/jm000995w | ||
CHEMBL122621 | 16132 | 0 | None | 3 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1 | 10.1021/jm000995w | ||
123801568 | 139959 | 0 | None | -190 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 11 | 3 | 7 | 1.9 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809781 | 139959 | 0 | None | -190 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 11 | 3 | 7 | 1.9 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.5b02023 | ||
44406315 | 72305 | 0 | None | - | 1 | Rat | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 312 | 4 | 0 | 5 | 3.5 | COc1cc(OC)cc(-c2cc3ccc(OC)cc3oc2=O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
CHEMBL199527 | 72305 | 0 | None | - | 1 | Rat | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 312 | 4 | 0 | 5 | 3.5 | COc1cc(OC)cc(-c2cc3ccc(OC)cc3oc2=O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
4418 | 34000 | 80 | None | 10 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.03.070 | ||
CHEMBL142635 | 34000 | 80 | None | 10 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.03.070 | ||
4151 | 3550 | 85 | None | -7 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
493 | 3550 | 85 | None | -7 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
5312125 | 3550 | 85 | None | -7 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
CHEMBL24778 | 3550 | 85 | None | -7 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
DB06207 | 3550 | 85 | None | -7 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
123183788 | 139996 | 0 | None | -7 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 441 | 12 | 3 | 6 | 2.4 | COc1cc(C)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3810220 | 139996 | 0 | None | -7 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 441 | 12 | 3 | 6 | 2.4 | COc1cc(C)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
131978695 | 150328 | 0 | None | -5 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 4 | 5.4 | COc1ccc2[nH]c3c(c2c1)CC1c2cc(OCc4ccccc4)c(OC)cc2CCN1C3 | 10.1021/acs.jmedchem.6b01217 | ||
CHEMBL3957222 | 150328 | 0 | None | -5 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 4 | 5.4 | COc1ccc2[nH]c3c(c2c1)CC1c2cc(OCc4ccccc4)c(OC)cc2CCN1C3 | 10.1021/acs.jmedchem.6b01217 | ||
145946630 | 167012 | 0 | None | -12 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 456 | 8 | 0 | 4 | 5.5 | COc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
CHEMBL4224794 | 167012 | 0 | None | -12 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 456 | 8 | 0 | 4 | 5.5 | COc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
CHEMBL4300618 | 167012 | 0 | None | -12 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 456 | 8 | 0 | 4 | 5.5 | COc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
10820251 | 96174 | 0 | None | 208 | 3 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
CHEMBL1203233 | 96174 | 0 | None | 208 | 3 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
CHEMBL263434 | 96174 | 0 | None | 208 | 3 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
10582125 | 81422 | 0 | None | 47 | 3 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4cccc(CNCCCCCCNCCSSCCNCCCCCCNCc5cccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)c5)c4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
CHEMBL216443 | 81422 | 0 | None | 47 | 3 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4cccc(CNCCCCCCNCCSSCCNCCCCCCNCc5cccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)c5)c4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
145947950 | 167172 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 440 | 7 | 0 | 3 | 5.8 | Cc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
CHEMBL4224703 | 167172 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 440 | 7 | 0 | 3 | 5.8 | Cc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
CHEMBL4302771 | 167172 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 440 | 7 | 0 | 3 | 5.8 | Cc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
134149598 | 147945 | 0 | None | -33 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 336 | 0 | 1 | 3 | 3.7 | Fc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
CHEMBL3938121 | 147945 | 0 | None | -33 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 336 | 0 | 1 | 3 | 3.7 | Fc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
123576734 | 139894 | 0 | None | -15 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 455 | 13 | 3 | 6 | 2.7 | CCc1ccc(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OC)c1 | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809032 | 139894 | 0 | None | -15 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 455 | 13 | 3 | 6 | 2.7 | CCc1ccc(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OC)c1 | 10.1021/acs.jmedchem.5b02023 | ||
123854385 | 139986 | 0 | None | -72 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 527 | 13 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3810145 | 139986 | 0 | None | -72 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 527 | 13 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
44406281 | 72360 | 3 | None | - | 1 | Rat | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | O=c1oc2c(O)cc(O)cc2cc1-c1cc(O)cc(O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
CHEMBL199739 | 72360 | 3 | None | - | 1 | Rat | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | O=c1oc2c(O)cc(O)cc2cc1-c1cc(O)cc(O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
123393714 | 139944 | 0 | None | -3 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1ccc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C | 10.1021/acs.jmedchem.5b02023 | ||
CHEMBL3809543 | 139944 | 0 | None | -3 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1ccc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C | 10.1021/acs.jmedchem.5b02023 | ||
16121006 | 11736 | 0 | None | - | 0 | Rat | 10.7 | pKd | = | 10.7 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182182 | 11736 | 0 | None | - | 0 | Rat | 10.7 | pKd | = | 10.7 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL217469 | 11736 | 0 | None | - | 0 | Rat | 10.7 | pKd | = | 10.7 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
11638677 | 84166 | 0 | None | - | 2 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | ||
CHEMBL2153423 | 84166 | 0 | None | - | 2 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | ||
CHEMBL2220978 | 84166 | 0 | None | - | 2 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | ||
129211 | 3692 | 75 | None | - | 3 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
2562 | 3692 | 75 | None | - | 3 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
488 | 3692 | 75 | None | - | 3 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
CHEMBL836 | 3692 | 75 | None | - | 3 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
DB00706 | 3692 | 75 | None | - | 3 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
9824384 | 118282 | 1 | None | - | 0 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL342062 | 118282 | 1 | None | - | 0 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
4209 | 3114 | 71 | None | - | 10 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | ||
4893 | 3114 | 71 | None | - | 10 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | ||
503 | 3114 | 71 | None | - | 10 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | ||
5385 | 3114 | 71 | None | - | 10 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | ||
CHEMBL2 | 3114 | 71 | None | - | 10 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | ||
DB00457 | 3114 | 71 | None | - | 10 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | ||
11742834 | 165217 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
CHEMBL42472 | 165217 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
10814913 | 35689 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 489 | 12 | 1 | 8 | 4.3 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL144238 | 35689 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 489 | 12 | 1 | 8 | 4.3 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
50905381 | 56056 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 422 | 11 | 2 | 6 | 2.7 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
CHEMBL1630938 | 56056 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 422 | 11 | 2 | 6 | 2.7 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
9891213 | 160955 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4128084 | 160955 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
132266 | 1252 | 9 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
486 | 1252 | 9 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
CHEMBL423294 | 1252 | 9 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
13305910 | 11731 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182155 | 11731 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL215421 | 11731 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL3741808 | 11731 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
13305910 | 11731 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL1182155 | 11731 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL215421 | 11731 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL3741808 | 11731 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
14423371 | 97005 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL27013 | 97005 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
14423371 | 97005 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
CHEMBL27013 | 97005 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
10527469 | 155724 | 1 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
CHEMBL40650 | 155724 | 1 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
11430126 | 60239 | 0 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
CHEMBL175934 | 60239 | 0 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
11751173 | 63096 | 0 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
CHEMBL179743 | 63096 | 0 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
11430491 | 62672 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
CHEMBL178673 | 62672 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
24897950 | 56058 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
CHEMBL1630940 | 56058 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
4209 | 3114 | 71 | None | - | 10 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
4893 | 3114 | 71 | None | - | 10 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
503 | 3114 | 71 | None | - | 10 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
5385 | 3114 | 71 | None | - | 10 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
CHEMBL2 | 3114 | 71 | None | - | 10 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
DB00457 | 3114 | 71 | None | - | 10 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
11994665 | 11729 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182151 | 11729 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL215151 | 11729 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
3157 | 1442 | 69 | None | - | 7 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
7170 | 1442 | 69 | None | - | 7 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
954 | 1442 | 69 | None | - | 7 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
CHEMBL707 | 1442 | 69 | None | - | 7 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
DB00590 | 1442 | 69 | None | - | 7 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
4209 | 3114 | 71 | None | - | 10 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
4893 | 3114 | 71 | None | - | 10 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
503 | 3114 | 71 | None | - | 10 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
5385 | 3114 | 71 | None | - | 10 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
CHEMBL2 | 3114 | 71 | None | - | 10 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
DB00457 | 3114 | 71 | None | - | 10 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
4209 | 3114 | 71 | None | - | 10 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
4893 | 3114 | 71 | None | - | 10 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
503 | 3114 | 71 | None | - | 10 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
5385 | 3114 | 71 | None | - | 10 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
CHEMBL2 | 3114 | 71 | None | - | 10 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
DB00457 | 3114 | 71 | None | - | 10 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
3584 | 3718 | 60 | None | - | 8 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
5401 | 3718 | 60 | None | - | 8 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
7302 | 3718 | 60 | None | - | 8 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
CHEMBL611 | 3718 | 60 | None | - | 8 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
DB01162 | 3718 | 60 | None | - | 8 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
499 | 4014 | 15 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmcl.2005.09.027 | ||
5685 | 4014 | 15 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmcl.2005.09.027 | ||
CHEMBL25554 | 4014 | 15 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmcl.2005.09.027 | ||
499 | 4014 | 15 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
5685 | 4014 | 15 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
CHEMBL25554 | 4014 | 15 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
10763212 | 167633 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 394 | 9 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C2CC2)CC1 | 10.1021/jm970166j | ||
CHEMBL433348 | 167633 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 394 | 9 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C2CC2)CC1 | 10.1021/jm970166j | ||
44289437 | 169296 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
CHEMBL44403 | 169296 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
4209 | 3114 | 71 | None | - | 10 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00370a011 | ||
4893 | 3114 | 71 | None | - | 10 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00370a011 | ||
503 | 3114 | 71 | None | - | 10 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00370a011 | ||
5385 | 3114 | 71 | None | - | 10 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00370a011 | ||
CHEMBL2 | 3114 | 71 | None | - | 10 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00370a011 | ||
DB00457 | 3114 | 71 | None | - | 10 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00370a011 | ||
44417713 | 12316 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1185884 | 12316 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL439346 | 12316 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
10501886 | 110913 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.1 | COc1ccccc1N1CCN(CCCNc2ncc(O)cc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL327232 | 110913 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.1 | COc1ccccc1N1CCN(CCCNc2ncc(O)cc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10833725 | 204785 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 381 | 7 | 1 | 5 | 2.7 | Cc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL88435 | 204785 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 381 | 7 | 1 | 5 | 2.7 | Cc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10499343 | 204799 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 369 | 8 | 2 | 6 | 1.8 | COc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1 | 10.1021/jm970166j | ||
CHEMBL88512 | 204799 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 369 | 8 | 2 | 6 | 1.8 | COc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1 | 10.1021/jm970166j | ||
10500734 | 204853 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 392 | 7 | 1 | 6 | 2.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C#N)CC1 | 10.1021/jm970166j | ||
CHEMBL88856 | 204853 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 392 | 7 | 1 | 6 | 2.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C#N)CC1 | 10.1021/jm970166j | ||
10646065 | 205175 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 425 | 8 | 2 | 6 | 3.2 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL90874 | 205175 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 425 | 8 | 2 | 6 | 3.2 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1 | 10.1021/jm970166j | ||
10526964 | 205237 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 437 | 10 | 1 | 6 | 3.2 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC2CC2)CC1 | 10.1021/jm970166j | ||
CHEMBL91278 | 205237 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 437 | 10 | 1 | 6 | 3.2 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC2CC2)CC1 | 10.1021/jm970166j | ||
10598692 | 205415 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 429 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)c2ccccc2)CC1 | 10.1021/jm970166j | ||
CHEMBL92259 | 205415 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 429 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)c2ccccc2)CC1 | 10.1021/jm970166j | ||
10671310 | 205198 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 451 | 8 | 1 | 6 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC(F)(F)F)CC1 | 10.1021/jm970166j | ||
CHEMBL91036 | 205198 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 451 | 8 | 1 | 6 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC(F)(F)F)CC1 | 10.1021/jm970166j | ||
10647512 | 205297 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 1.6 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)c[nH]c3ccn[n+]2-3)CC1 | 10.1021/jm970166j | ||
CHEMBL91547 | 205297 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 1.6 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)c[nH]c3ccn[n+]2-3)CC1 | 10.1021/jm970166j | ||
10815708 | 205369 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 515 | 9 | 1 | 6 | 4.5 | CN(C)C(=O)c1cnc2ccccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
CHEMBL91989 | 205369 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 515 | 9 | 1 | 6 | 4.5 | CN(C)C(=O)c1cnc2ccccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
10788615 | 205288 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 427 | 9 | 1 | 7 | 2.4 | COc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(OC)c1 | 10.1021/jm970166j | ||
CHEMBL91480 | 205288 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 427 | 9 | 1 | 7 | 2.4 | COc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(OC)c1 | 10.1021/jm970166j | ||
11994915 | 11727 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182145 | 11727 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL214762 | 11727 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
10549596 | 84182 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153553 | 84182 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2221147 | 84182 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
4418 | 34000 | 80 | None | - | 3 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
CHEMBL142635 | 34000 | 80 | None | - | 3 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
52942664 | 17462 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 500 | 8 | 2 | 6 | 2.7 | COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
CHEMBL1258345 | 17462 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 500 | 8 | 2 | 6 | 2.7 | COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
11135150 | 7522 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
CHEMBL1087942 | 7522 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
CHEMBL287686 | 7522 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
11454386 | 62777 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
CHEMBL178923 | 62777 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
10813278 | 106457 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 446 | 8 | 1 | 6 | 3.5 | Cc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(-n2cccc2)c1 | 10.1021/jm970166j | ||
CHEMBL314880 | 106457 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 446 | 8 | 1 | 6 | 3.5 | Cc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(-n2cccc2)c1 | 10.1021/jm970166j | ||
10693071 | 204748 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 413 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCSc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL88181 | 204748 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 413 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCSc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
9893282 | 204743 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 533 | 9 | 1 | 8 | 3.5 | Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 | 10.1021/jm970166j | ||
CHEMBL88160 | 204743 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 533 | 9 | 1 | 8 | 3.5 | Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 | 10.1021/jm970166j | ||
10530686 | 205176 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 549 | 9 | 1 | 6 | 5.2 | CN(C)C(=O)c1cnc2c(Cl)cccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
CHEMBL90878 | 205176 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 549 | 9 | 1 | 6 | 5.2 | CN(C)C(=O)c1cnc2c(Cl)cccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
44284394 | 11085 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 373 | 9 | 1 | 6 | 3.0 | COc1cccc(OC)c1OCCNCC1CO[C@](C)(c2ccccc2)O1 | 10.1021/jm021078o | ||
CHEMBL1178677 | 11085 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 373 | 9 | 1 | 6 | 3.0 | COc1cccc(OC)c1OCCNCC1CO[C@](C)(c2ccccc2)O1 | 10.1021/jm021078o | ||
CHEMBL36978 | 11085 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 373 | 9 | 1 | 6 | 3.0 | COc1cccc(OC)c1OCCNCC1CO[C@](C)(c2ccccc2)O1 | 10.1021/jm021078o | ||
10767948 | 35720 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL144263 | 35720 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
145962945 | 160796 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 511 | 5 | 1 | 7 | 4.6 | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4125846 | 160796 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 511 | 5 | 1 | 7 | 4.6 | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
11273296 | 169728 | 0 | None | - | 0 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 586 | 11 | 1 | 8 | 2.9 | CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
CHEMBL444648 | 169728 | 0 | None | - | 0 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 586 | 11 | 1 | 8 | 2.9 | CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
49800167 | 17499 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 514 | 9 | 2 | 6 | 3.1 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
CHEMBL1258457 | 17499 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 514 | 9 | 2 | 6 | 3.1 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
10531768 | 35424 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1cccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1 | 10.1021/jm9810654 | ||
CHEMBL144000 | 35424 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1cccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1 | 10.1021/jm9810654 | ||
44586429 | 183715 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
CHEMBL484102 | 183715 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
145960918 | 160981 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 427 | 3 | 1 | 7 | 3.2 | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4128460 | 160981 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 427 | 3 | 1 | 7 | 3.2 | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
52945071 | 17461 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 2.7 | O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1CC(O)CN1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
CHEMBL1258344 | 17461 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 2.7 | O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1CC(O)CN1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
145971816 | 163980 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
CHEMBL4214992 | 163980 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
10693026 | 105473 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 412 | 9 | 1 | 6 | 2.8 | CCOc1ccccc1OCCNC1CCN(c2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL312935 | 105473 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 412 | 9 | 1 | 6 | 2.8 | CCOc1ccccc1OCCNC1CCN(c2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10572854 | 112074 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 396 | 8 | 1 | 5 | 3.0 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL330060 | 112074 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 396 | 8 | 1 | 5 | 3.0 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10552132 | 112291 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 465 | 9 | 1 | 6 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
CHEMBL330579 | 112291 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 465 | 9 | 1 | 6 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
10642742 | 205068 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 367 | 7 | 1 | 5 | 2.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2)CC1 | 10.1021/jm970166j | ||
CHEMBL90287 | 205068 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 367 | 7 | 1 | 5 | 2.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2)CC1 | 10.1021/jm970166j | ||
145953314 | 160882 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 441 | 7 | 1 | 7 | 3.8 | CCCCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4127078 | 160882 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 441 | 7 | 1 | 7 | 3.8 | CCCCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2018.05.023 | ||
10744240 | 106551 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 508 | 9 | 2 | 7 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C(N)=O)cccc23)CC1 | 10.1021/jm970166j | ||
CHEMBL315496 | 106551 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 508 | 9 | 2 | 7 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C(N)=O)cccc23)CC1 | 10.1021/jm970166j | ||
10577066 | 111919 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 490 | 8 | 2 | 6 | 2.3 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)c[nH]c3c(Cl)cn[n+]2-3)CC1 | 10.1021/jm970166j | ||
CHEMBL329773 | 111919 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 490 | 8 | 2 | 6 | 2.3 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)c[nH]c3c(Cl)cn[n+]2-3)CC1 | 10.1021/jm970166j | ||
11133288 | 165480 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
CHEMBL42558 | 165480 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
145962817 | 160972 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4128311 | 160972 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
44289248 | 168410 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
CHEMBL43905 | 168410 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
44417706 | 11730 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
CHEMBL1182152 | 11730 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
CHEMBL215188 | 11730 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
10743978 | 120789 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL358060 | 120789 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
145978803 | 163286 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 398 | 8 | 1 | 6 | 2.3 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
CHEMBL4206435 | 163286 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 398 | 8 | 1 | 6 | 2.3 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
10574245 | 111034 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 422 | 8 | 1 | 7 | 2.3 | COc1ccccc1N1CCN(CCCNc2ncc(C#N)cc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL327872 | 111034 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 422 | 8 | 1 | 7 | 2.3 | COc1ccccc1N1CCN(CCCNc2ncc(C#N)cc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
9865577 | 111817 | 1 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL329160 | 111817 | 1 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
44323795 | 204882 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNc2cc(C)ccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL89030 | 204882 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNc2cc(C)ccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10550225 | 205353 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 423 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N2CCCC2)CC1 | 10.1021/jm970166j | ||
CHEMBL91876 | 205353 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 423 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N2CCCC2)CC1 | 10.1021/jm970166j | ||
44586430 | 186447 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 528 | 9 | 1 | 6 | 3.4 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
CHEMBL490865 | 186447 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 528 | 9 | 1 | 6 | 3.4 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
10506159 | 110912 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 520 | 8 | 1 | 9 | 3.4 | Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccc(F)cc4-c4ncco4)CC3)c12 | 10.1021/jm970166j | ||
CHEMBL327231 | 110912 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 520 | 8 | 1 | 9 | 3.4 | Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccc(F)cc4-c4ncco4)CC3)c12 | 10.1021/jm970166j | ||
10719536 | 120630 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 480 | 12 | 2 | 8 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL357669 | 120630 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 480 | 12 | 2 | 8 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
10430193 | 161050 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4129461 | 161050 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
3584 | 3718 | 60 | None | - | 8 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
5401 | 3718 | 60 | None | - | 8 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
7302 | 3718 | 60 | None | - | 8 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
CHEMBL611 | 3718 | 60 | None | - | 8 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
DB01162 | 3718 | 60 | None | - | 8 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
10363912 | 6460 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
CHEMBL1082862 | 6460 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
CHEMBL286003 | 6460 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
3584 | 3718 | 60 | None | - | 8 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
5401 | 3718 | 60 | None | - | 8 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
7302 | 3718 | 60 | None | - | 8 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
CHEMBL611 | 3718 | 60 | None | - | 8 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
DB01162 | 3718 | 60 | None | - | 8 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
499 | 4014 | 15 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
5685 | 4014 | 15 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
CHEMBL25554 | 4014 | 15 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
499 | 4014 | 15 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
5685 | 4014 | 15 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
CHEMBL25554 | 4014 | 15 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
10767688 | 36155 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CCl)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL144677 | 36155 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CCl)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
10344976 | 100745 | 1 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL29591 | 100745 | 1 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
10344976 | 100745 | 1 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
CHEMBL29591 | 100745 | 1 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
50905589 | 56060 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
CHEMBL1630942 | 56060 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
44428847 | 91861 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL242723 | 91861 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
6603808 | 127000 | 2 | None | - | 2 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL214986 | 127000 | 2 | None | - | 2 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL36622 | 127000 | 2 | None | - | 2 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL3740374 | 127000 | 2 | None | - | 2 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
69781970 | 160804 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4125981 | 160804 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
52941981 | 17334 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 502 | 7 | 1 | 5 | 3.1 | CN1C(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
CHEMBL1257883 | 17334 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 502 | 7 | 1 | 5 | 3.1 | CN1C(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
10526831 | 110901 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 434 | 8 | 1 | 7 | 3.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ncco2)CC1 | 10.1021/jm970166j | ||
CHEMBL327168 | 110901 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 434 | 8 | 1 | 7 | 3.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ncco2)CC1 | 10.1021/jm970166j | ||
10789868 | 205003 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 453 | 10 | 1 | 6 | 4.0 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C(C)C)C(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL89916 | 205003 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 453 | 10 | 1 | 6 | 4.0 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C(C)C)C(C)C)CC1 | 10.1021/jm970166j | ||
44323554 | 204733 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 446 | 8 | 1 | 7 | 2.9 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2-c2cncnc2)CC1 | 10.1021/jm970166j | ||
CHEMBL88109 | 204733 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 446 | 8 | 1 | 7 | 2.9 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2-c2cncnc2)CC1 | 10.1021/jm970166j | ||
11994673 | 12210 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
CHEMBL1185036 | 12210 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
CHEMBL385371 | 12210 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
132266 | 1252 | 9 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
486 | 1252 | 9 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
CHEMBL423294 | 1252 | 9 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
44586483 | 171900 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
CHEMBL448198 | 171900 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
44586479 | 188042 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 572 | 10 | 1 | 8 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
CHEMBL503007 | 188042 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 572 | 10 | 1 | 8 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
2419 | 688 | 22 | None | - | 3 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.04.032 | ||
9 | 688 | 22 | None | - | 3 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.04.032 | ||
CHEMBL13647 | 688 | 22 | None | - | 3 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.04.032 | ||
71462043 | 84145 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153555 | 84145 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2220895 | 84145 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
10506915 | 39999 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN4CCSC4)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL148061 | 39999 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN4CCSC4)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
10745791 | 36279 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 579 | 19 | 3 | 9 | 4.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCN)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL144776 | 36279 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 579 | 19 | 3 | 9 | 4.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCN)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
10786203 | 205538 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 2.1 | CNC(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm970166j | ||
CHEMBL93054 | 205538 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 2.1 | CNC(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm970166j | ||
10651334 | 29538 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1ccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1 | 10.1021/jm9810654 | ||
CHEMBL138681 | 29538 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1ccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1 | 10.1021/jm9810654 | ||
10697270 | 105697 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 519 | 9 | 2 | 8 | 3.2 | CNC(=O)c1cnc2c(c(C)nn2C)c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
CHEMBL313775 | 105697 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 519 | 9 | 2 | 8 | 3.2 | CNC(=O)c1cnc2c(c(C)nn2C)c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
2419 | 688 | 22 | None | - | 3 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
9 | 688 | 22 | None | - | 3 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
CHEMBL13647 | 688 | 22 | None | - | 3 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
10549680 | 111891 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 413 | 8 | 1 | 6 | 3.1 | CSc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL329601 | 111891 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 413 | 8 | 1 | 6 | 3.1 | CSc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10620831 | 205160 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccc(C(=O)N(C)C)cn2)CC1 | 10.1021/jm970166j | ||
CHEMBL90778 | 205160 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccc(C(=O)N(C)C)cn2)CC1 | 10.1021/jm970166j | ||
10596968 | 205250 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 397 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCCOc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL91338 | 205250 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 397 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCCOc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10764021 | 205263 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 409 | 9 | 1 | 5 | 3.4 | CCCc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL91400 | 205263 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 409 | 9 | 1 | 5 | 3.4 | CCCc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10574889 | 106064 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 435 | 7 | 1 | 5 | 3.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C(F)(F)F)CC1 | 10.1021/jm970166j | ||
CHEMBL314114 | 106064 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 435 | 7 | 1 | 5 | 3.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C(F)(F)F)CC1 | 10.1021/jm970166j | ||
10552704 | 162897 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 479 | 8 | 1 | 6 | 4.0 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C)cccc23)CC1 | 10.1021/jm970166j | ||
CHEMBL419867 | 162897 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 479 | 8 | 1 | 6 | 4.0 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C)cccc23)CC1 | 10.1021/jm970166j | ||
10624682 | 205309 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 483 | 8 | 1 | 8 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c2c(C)nn3C)CC1 | 10.1021/jm970166j | ||
CHEMBL91605 | 205309 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 483 | 8 | 1 | 8 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c2c(C)nn3C)CC1 | 10.1021/jm970166j | ||
44289262 | 100904 | 1 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 421 | 9 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 | 10.1021/jm011066n | ||
CHEMBL297106 | 100904 | 1 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 421 | 9 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 | 10.1021/jm011066n | ||
25022505 | 187707 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 586 | 10 | 1 | 8 | 2.9 | COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
CHEMBL500266 | 187707 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 586 | 10 | 1 | 8 | 2.9 | COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
44428848 | 91862 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 453 | 4 | 1 | 8 | 3.6 | COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL242724 | 91862 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 453 | 4 | 1 | 8 | 3.6 | COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
10447834 | 1902 | 4 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
4026 | 1902 | 4 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
CHEMBL275507 | 1902 | 4 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
145975903 | 163269 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
CHEMBL4206260 | 163269 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
11795906 | 205337 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 411 | 8 | 1 | 6 | 2.7 | COc1cc(C)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL91785 | 205337 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 411 | 8 | 1 | 6 | 2.7 | COc1cc(C)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
44324012 | 205518 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2nc(C)cc(C)c2C(N)=O)CC1 | 10.1021/jm970166j | ||
CHEMBL92901 | 205518 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2nc(C)cc(C)c2C(N)=O)CC1 | 10.1021/jm970166j | ||
10505222 | 204939 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 490 | 8 | 1 | 7 | 3.6 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C#N)cccc23)CC1 | 10.1021/jm970166j | ||
CHEMBL89397 | 204939 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 490 | 8 | 1 | 7 | 3.6 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C#N)cccc23)CC1 | 10.1021/jm970166j | ||
11994797 | 12208 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
CHEMBL1185017 | 12208 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
CHEMBL383938 | 12208 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
9976756 | 6529 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | ||
CHEMBL1083181 | 6529 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | ||
CHEMBL37883 | 6529 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | ||
2419 | 688 | 22 | None | - | 3 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
9 | 688 | 22 | None | - | 3 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
CHEMBL13647 | 688 | 22 | None | - | 3 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
2419 | 688 | 22 | None | - | 3 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(98)00217-0 | ||
9 | 688 | 22 | None | - | 3 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(98)00217-0 | ||
CHEMBL13647 | 688 | 22 | None | - | 3 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(98)00217-0 | ||
45268939 | 194985 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
CHEMBL564481 | 194985 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
11281005 | 11738 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
CHEMBL1182191 | 11738 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
CHEMBL218079 | 11738 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
52942591 | 17430 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 542 | 9 | 1 | 7 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
CHEMBL1258228 | 17430 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 542 | 9 | 1 | 7 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
145964162 | 163784 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
CHEMBL4212528 | 163784 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
44277158 | 101175 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 449 | 11 | 3 | 10 | 3.0 | COc1cc2nc(NCCSSCCNC(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
CHEMBL29907 | 101175 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 449 | 11 | 3 | 10 | 3.0 | COc1cc2nc(NCCSSCCNC(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
10553687 | 38645 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CN(C)C)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL146724 | 38645 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CN(C)C)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
10097792 | 118084 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL341665 | 118084 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
10621592 | 84148 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153559 | 84148 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2220898 | 84148 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
10553385 | 118660 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 498 | 13 | 1 | 9 | 3.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL342997 | 118660 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 498 | 13 | 1 | 9 | 3.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
44323803 | 204821 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 398 | 8 | 1 | 7 | 1.8 | COc1ccccc1N1CCN(CCCNc2cncnc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL88633 | 204821 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 398 | 8 | 1 | 7 | 1.8 | COc1ccccc1N1CCN(CCCNc2cncnc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10647341 | 205207 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 453 | 9 | 1 | 6 | 3.8 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC(C)(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL91093 | 205207 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 453 | 9 | 1 | 6 | 3.8 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC(C)(C)C)CC1 | 10.1021/jm970166j | ||
10524875 | 205640 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL93736 | 205640 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10815228 | 37037 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CCl)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL145384 | 37037 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CCl)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
71454865 | 84180 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153551 | 84180 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2221145 | 84180 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
132266 | 1252 | 9 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
486 | 1252 | 9 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL423294 | 1252 | 9 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
132266 | 1252 | 9 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
486 | 1252 | 9 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL423294 | 1252 | 9 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
44244567 | 13923 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 3.8 | CCOc1ccccc1N1CCN(CC(O)CN2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1016/j.ejmech.2009.04.028 | ||
CHEMBL1197380 | 13923 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 3.8 | CCOc1ccccc1N1CCN(CC(O)CN2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1016/j.ejmech.2009.04.028 | ||
CHEMBL3216680 | 13923 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 3.8 | CCOc1ccccc1N1CCN(CC(O)CN2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1016/j.ejmech.2009.04.028 | ||
10403687 | 2475 | 2 | None | - | 2 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
1205 | 2475 | 2 | None | - | 2 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
CHEMBL275035 | 2475 | 2 | None | - | 2 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
44428845 | 141830 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL388884 | 141830 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
145962342 | 160876 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@@H]3CCCC[C@@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4126860 | 160876 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@@H]3CCCC[C@@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | ||
69782867 | 161035 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4129291 | 161035 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
10673882 | 38489 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 534 | 13 | 1 | 11 | 3.5 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL146601 | 38489 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 534 | 13 | 1 | 11 | 3.5 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
10525639 | 205416 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 410 | 8 | 1 | 6 | 3.9 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL92261 | 205416 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 410 | 8 | 1 | 6 | 3.9 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1 | 10.1021/jm970166j | ||
10602797 | 36270 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN4CCSC4)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL144768 | 36270 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN4CCSC4)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
10072518 | 35676 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 451 | 11 | 1 | 7 | 4.0 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL144224 | 35676 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 451 | 11 | 1 | 7 | 4.0 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
50905588 | 56059 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
CHEMBL1630941 | 56059 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
11994667 | 11726 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182143 | 11726 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL214694 | 11726 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
11133868 | 154803 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
CHEMBL40325 | 154803 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
10621790 | 163264 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 415 | 8 | 1 | 6 | 2.6 | COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL420620 | 163264 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 415 | 8 | 1 | 6 | 2.6 | COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10645210 | 204753 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 409 | 8 | 1 | 5 | 3.5 | CC(C)c1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL88211 | 204753 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 409 | 8 | 1 | 5 | 3.5 | CC(C)c1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10643699 | 204825 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 383 | 7 | 2 | 6 | 2.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2O)CC1 | 10.1021/jm970166j | ||
CHEMBL88664 | 204825 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 383 | 7 | 2 | 6 | 2.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2O)CC1 | 10.1021/jm970166j | ||
10716502 | 204849 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 410 | 7 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CCC(=O)Nc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL88820 | 204849 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 410 | 7 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CCC(=O)Nc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10555166 | 204991 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 575 | 9 | 1 | 8 | 4.5 | CN(C)C(=O)c1cnc2c(c(C(C)(C)C)nn2C)c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
CHEMBL89822 | 204991 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 575 | 9 | 1 | 8 | 4.5 | CN(C)C(=O)c1cnc2c(c(C(C)(C)C)nn2C)c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
10575254 | 205156 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 443 | 8 | 1 | 5 | 4.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ccccc2)CC1 | 10.1021/jm970166j | ||
CHEMBL90746 | 205156 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 443 | 8 | 1 | 5 | 4.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ccccc2)CC1 | 10.1021/jm970166j | ||
10552164 | 205173 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 466 | 9 | 1 | 6 | 3.4 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
CHEMBL90869 | 205173 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 466 | 9 | 1 | 6 | 3.4 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
21473427 | 205249 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C)cccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL91326 | 205249 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C)cccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10621397 | 205363 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 407 | 8 | 1 | 5 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm970166j | ||
CHEMBL91951 | 205363 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 407 | 8 | 1 | 5 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm970166j | ||
9838192 | 110824 | 13 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | ||
CHEMBL326702 | 110824 | 13 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | ||
10814587 | 205165 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 480 | 8 | 1 | 7 | 3.4 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3nc(C)ccc23)CC1 | 10.1021/jm970166j | ||
CHEMBL90810 | 205165 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 480 | 8 | 1 | 7 | 3.4 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3nc(C)ccc23)CC1 | 10.1021/jm970166j | ||
9838192 | 110824 | 13 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1016/j.bmc.2008.02.091 | ||
CHEMBL326702 | 110824 | 13 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1016/j.bmc.2008.02.091 | ||
10787790 | 105510 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 411 | 9 | 1 | 6 | 2.8 | CCOc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL313157 | 105510 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 411 | 9 | 1 | 6 | 2.8 | CCOc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
11169638 | 17012 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
CHEMBL1256344 | 17012 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
145971621 | 164053 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 414 | 9 | 1 | 7 | 2.0 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3OC)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
CHEMBL4215889 | 164053 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 414 | 9 | 1 | 7 | 2.0 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3OC)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
10042467 | 1398 | 1 | None | - | 2 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
1203 | 1398 | 1 | None | - | 2 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
CHEMBL11553 | 1398 | 1 | None | - | 2 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
10743446 | 106588 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 483 | 8 | 1 | 8 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c2nc(C)n3C)CC1 | 10.1021/jm970166j | ||
CHEMBL315785 | 106588 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 483 | 8 | 1 | 8 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c2nc(C)n3C)CC1 | 10.1021/jm970166j | ||
10787895 | 110932 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.1 | COc1cc(O)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
CHEMBL327351 | 110932 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.1 | COc1cc(O)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
10766280 | 111149 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 457 | 9 | 1 | 5 | 4.0 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2Cc2ccccc2)CC1 | 10.1021/jm970166j | ||
CHEMBL328545 | 111149 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 457 | 9 | 1 | 5 | 4.0 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2Cc2ccccc2)CC1 | 10.1021/jm970166j | ||
10839699 | 205024 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 520 | 9 | 1 | 8 | 3.8 | Cc1noc2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 | 10.1021/jm970166j | ||
CHEMBL90022 | 205024 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 520 | 9 | 1 | 8 | 3.8 | Cc1noc2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 | 10.1021/jm970166j | ||
44428846 | 91757 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL242508 | 91757 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | ||
10530133 | 36785 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 525 | 12 | 1 | 10 | 4.2 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL145181 | 36785 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 525 | 12 | 1 | 10 | 4.2 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
10834793 | 84156 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153557 | 84156 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2220925 | 84156 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
16721032 | 91756 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL242507 | 91756 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
44289261 | 164360 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
CHEMBL42231 | 164360 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
53327991 | 63071 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796046 | 63071 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
53327748 | 63058 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796033 | 63058 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
44288917 | 99791 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL288768 | 99791 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
44288769 | 100679 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL295395 | 100679 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
9827677 | 167858 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL43491 | 167858 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
44288945 | 168349 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL43860 | 168349 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
44289100 | 99687 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 499 | 7 | 1 | 3 | 4.7 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL287791 | 99687 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 499 | 7 | 1 | 3 | 4.7 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
44289107 | 165627 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 492 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL42640 | 165627 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 492 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
53327992 | 63075 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796050 | 63075 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
44288874 | 100626 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL295001 | 100626 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
10436842 | 99792 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL288772 | 99792 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
44289103 | 155084 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL40464 | 155084 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
44289035 | 100048 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
CHEMBL291166 | 100048 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
135398745 | 2869 | 108 | None | -30 | 22 | Rat | 6.4 | pA2 | = | 6.4 | Functional | Guide to Pharmacology | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 18542932 | ||
47 | 2869 | 108 | None | -30 | 22 | Rat | 6.4 | pA2 | = | 6.4 | Functional | Guide to Pharmacology | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 18542932 | ||
CHEMBL715 | 2869 | 108 | None | -30 | 22 | Rat | 6.4 | pA2 | = | 6.4 | Functional | Guide to Pharmacology | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 18542932 | ||
DB00334 | 2869 | 108 | None | -30 | 22 | Rat | 6.4 | pA2 | = | 6.4 | Functional | Guide to Pharmacology | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 18542932 | ||
1753 | 2468 | 26 | None | 12 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
483 | 2468 | 26 | None | 12 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
6082 | 2468 | 26 | None | 12 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
CHEMBL524 | 2468 | 26 | None | 12 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
DB00723 | 2468 | 26 | None | 12 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
2146 | 3051 | 63 | None | 1 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
485 | 3051 | 63 | None | 1 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
6041 | 3051 | 63 | None | 1 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
CHEMBL1215 | 3051 | 63 | None | 1 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
DB00388 | 3051 | 63 | None | 1 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None |
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 |
24900689 | 70020 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945039 | 70020 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
43260 | 5408 | 61 | None | -1 | 5 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | ||
CHEMBL1076 | 5408 | 61 | None | -1 | 5 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | ||
43260 | 5408 | 61 | None | -1 | 5 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | ||
CHEMBL1076 | 5408 | 61 | None | -1 | 5 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | ||
4038180 | 202 | 11 | None | -141 | 6 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
480 | 202 | 11 | None | -141 | 6 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
CHEMBL109783 | 202 | 11 | None | -141 | 6 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
4038180 | 202 | 11 | None | -141 | 6 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | ||
480 | 202 | 11 | None | -141 | 6 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | ||
CHEMBL109783 | 202 | 11 | None | -141 | 6 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | ||
10297 | 26905 | 29 | None | -31 | 43 | Rat | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | 10.1021/jm025550h | ||
CHEMBL136560 | 26905 | 29 | None | -31 | 43 | Rat | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | 10.1021/jm025550h | ||
162265 | 200587 | 19 | None | -5 | 44 | Rat | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | ||
4786 | 200587 | 19 | None | -5 | 44 | Rat | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | ||
CHEMBL61006 | 200587 | 19 | None | -5 | 44 | Rat | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
2585 | 790 | 100 | None | -4 | 22 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
522 | 790 | 100 | None | -4 | 22 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
551 | 790 | 100 | None | -4 | 22 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
CHEMBL723 | 790 | 100 | None | -4 | 22 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
DB01136 | 790 | 100 | None | -4 | 22 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
6761 | 67457 | 17 | None | -1 | 18 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
CHEMBL1909072 | 67457 | 17 | None | -1 | 18 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
85469754 | 136372 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 503 | 7 | 0 | 6 | 3.3 | CS(=O)(=O)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3742276 | 136372 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 503 | 7 | 0 | 6 | 3.3 | CS(=O)(=O)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
24901413 | 70013 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945032 | 70013 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
24900811 | 70021 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945040 | 70021 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
57391554 | 70025 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945044 | 70025 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 | 10.1016/j.bmcl.2011.10.049 | ||
24900937 | 70041 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945294 | 70041 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
102 | 4064 | 44 | None | -363 | 49 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
3659 | 4064 | 44 | None | -363 | 49 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
8969 | 4064 | 44 | None | -363 | 49 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
CHEMBL15245 | 4064 | 44 | None | -363 | 49 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
DB01392 | 4064 | 44 | None | -363 | 49 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
180 | 397 | 50 | None | -23 | 38 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
200 | 397 | 50 | None | -23 | 38 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
2160 | 397 | 50 | None | -23 | 38 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
CHEMBL629 | 397 | 50 | None | -23 | 38 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
DB00321 | 397 | 50 | None | -23 | 38 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
85469871 | 136061 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3739505 | 136061 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
3151 | 1434 | 93 | None | -77 | 26 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
945 | 1434 | 93 | None | -77 | 26 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
965 | 1434 | 93 | None | -77 | 26 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
CHEMBL219916 | 1434 | 93 | None | -77 | 26 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
DB01184 | 1434 | 93 | None | -77 | 26 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
277 | 1274 | 55 | None | -42 | 45 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
2913 | 1274 | 55 | None | -42 | 45 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
765 | 1274 | 55 | None | -42 | 45 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
CHEMBL516 | 1274 | 55 | None | -42 | 45 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
DB00434 | 1274 | 55 | None | -42 | 45 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
2477 | 734 | 54 | None | -8 | 28 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
36 | 734 | 54 | None | -8 | 28 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
437 | 734 | 54 | None | -8 | 28 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
CHEMBL49 | 734 | 54 | None | -8 | 28 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
DB00490 | 734 | 54 | None | -8 | 28 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
448537 | 159703 | 86 | None | -33 | 25 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
CHEMBL411 | 159703 | 86 | None | -33 | 25 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
12488 | 1627 | 51 | None | -10 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
941361 | 1627 | 51 | None | -10 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
CHEMBL30008 | 1627 | 51 | None | -10 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
DB04841 | 1627 | 51 | None | -10 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
85469869 | 136068 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 426 | 6 | 0 | 5 | 3.2 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3739533 | 136068 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 426 | 6 | 0 | 5 | 3.2 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
10015132 | 163317 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL420683 | 163317 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00764-8 | ||
196129 | 67456 | 12 | None | -691 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
CHEMBL1909065 | 67456 | 12 | None | -691 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
36811 | 1426 | 34 | None | 1 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
535 | 1426 | 34 | None | 1 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
937 | 1426 | 34 | None | 1 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
CHEMBL926 | 1426 | 34 | None | 1 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
DB00841 | 1426 | 34 | None | 1 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
85469808 | 136107 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3739900 | 136107 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
1547484 | 927 | 70 | None | -9 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
654 | 927 | 70 | None | -9 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
9072 | 927 | 70 | None | -9 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL43064 | 927 | 70 | None | -9 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB00568 | 927 | 70 | None | -9 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
22493392 | 46891 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL154298 | 46891 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
3158 | 55974 | 21 | None | -398 | 20 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
CHEMBL1628227 | 55974 | 21 | None | -398 | 20 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
2142 | 3047 | 54 | None | -5 | 36 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
4920903 | 3047 | 54 | None | -5 | 36 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
502 | 3047 | 54 | None | -5 | 36 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
5775 | 3047 | 54 | None | -5 | 36 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
CHEMBL597 | 3047 | 54 | None | -5 | 36 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
DB00692 | 3047 | 54 | None | -5 | 36 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
24901347 | 69990 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 463 | 11 | 5 | 6 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1944695 | 69990 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 463 | 11 | 5 | 6 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
85469931 | 136369 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3742253 | 136369 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
2803 | 941 | 53 | None | -6 | 19 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
516 | 941 | 53 | None | -6 | 19 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
704 | 941 | 53 | None | -6 | 19 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
CHEMBL134 | 941 | 53 | None | -6 | 19 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
DB00575 | 941 | 53 | None | -6 | 19 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
6726 | 1254 | 46 | None | -11 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
7151 | 1254 | 46 | None | -11 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
749 | 1254 | 46 | None | -11 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL648 | 1254 | 46 | None | -11 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB01176 | 1254 | 46 | None | -11 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
85469934 | 136212 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3740847 | 136212 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
85469932 | 136263 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3741318 | 136263 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
24901144 | 69986 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1944691 | 69986 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
2284 | 3133 | 27 | None | -3 | 28 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
4926 | 3133 | 27 | None | -3 | 28 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
7281 | 3133 | 27 | None | -3 | 28 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
CHEMBL564 | 3133 | 27 | None | -3 | 28 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
DB00420 | 3133 | 27 | None | -3 | 28 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
174174 | 519 | 46 | None | -2041 | 14 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
260 | 519 | 46 | None | -2041 | 14 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
320 | 519 | 46 | None | -2041 | 14 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
CHEMBL517712 | 519 | 46 | None | -2041 | 14 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
DB00572 | 519 | 46 | None | -2041 | 14 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
133 | 2460 | 48 | None | -41 | 42 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
1723 | 2460 | 48 | None | -41 | 42 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
28693 | 2460 | 48 | None | -41 | 42 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
CHEMBL19215 | 2460 | 48 | None | -41 | 42 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
DB13520 | 2460 | 48 | None | -41 | 42 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
6075 | 149575 | 36 | None | -4 | 16 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
CHEMBL395110 | 149575 | 36 | None | -4 | 16 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
16220269 | 189068 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
CHEMBL515170 | 189068 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
44362511 | 118843 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.4 | Cc1ccnc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL344294 | 118843 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.4 | Cc1ccnc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
441383 | 20133 | 54 | None | -9 | 17 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
CHEMBL1306 | 20133 | 54 | None | -9 | 17 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
10378649 | 108106 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 1.6 | CCCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL320419 | 108106 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 1.6 | CCCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
2812 | 4711 | 96 | None | -40 | 34 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
CHEMBL104 | 4711 | 96 | None | -40 | 34 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
2105 | 3005 | 34 | None | -316 | 33 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
47811 | 3005 | 34 | None | -316 | 33 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
48 | 3005 | 34 | None | -316 | 33 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
CHEMBL531 | 3005 | 34 | None | -316 | 33 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
DB01186 | 3005 | 34 | None | -316 | 33 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
19063108 | 93051 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 546 | 9 | 1 | 10 | 4.6 | COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC | 10.1021/jm960697s | ||
CHEMBL24619 | 93051 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 546 | 9 | 1 | 10 | 4.6 | COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC | 10.1021/jm960697s | ||
24900426 | 70018 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 477 | 12 | 5 | 6 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945037 | 70018 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 477 | 12 | 5 | 6 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
24901143 | 70022 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 483 | 10 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945041 | 70022 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 483 | 10 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
24900750 | 70036 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945289 | 70036 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
127041710 | 136093 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 450 | 6 | 0 | 4 | 4.4 | [C-]#[N+]c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3739762 | 136093 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 450 | 6 | 0 | 4 | 4.4 | [C-]#[N+]c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
85469873 | 136069 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3739542 | 136069 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
10199052 | 206215 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 258 | 5 | 3 | 4 | 1.0 | O=C(NC1CC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL97044 | 206215 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 258 | 5 | 3 | 4 | 1.0 | O=C(NC1CC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
2435 | 714 | 98 | None | -28 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
395 | 714 | 98 | None | -28 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
520 | 714 | 98 | None | -28 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
5386 | 714 | 98 | None | -28 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
CHEMBL844 | 714 | 98 | None | -28 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
DB00484 | 714 | 98 | None | -28 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
85469698 | 136303 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3741658 | 136303 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
3191 | 102385 | 93 | None | -14 | 25 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
CHEMBL305660 | 102385 | 93 | None | -14 | 25 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
73453 | 29403 | 22 | None | -12 | 17 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
CHEMBL1385840 | 29403 | 22 | None | -12 | 17 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
2801 | 161325 | 56 | None | -1 | 28 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
CHEMBL1200710 | 161325 | 56 | None | -1 | 28 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
CHEMBL415 | 161325 | 56 | None | -1 | 28 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
2286 | 3134 | 48 | None | -8 | 29 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
4927 | 3134 | 48 | None | -8 | 29 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
7282 | 3134 | 48 | None | -8 | 29 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
CHEMBL643 | 3134 | 48 | None | -8 | 29 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
DB01069 | 3134 | 48 | None | -8 | 29 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
85469756 | 136064 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3739513 | 136064 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
240 | 931 | 39 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
2769 | 931 | 39 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
44279790 | 931 | 39 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
660 | 931 | 39 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL1729 | 931 | 39 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL560739 | 931 | 39 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
DB00604 | 931 | 39 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
11108001 | 10771 | 2 | None | 3 | 6 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL117248 | 10771 | 2 | None | 3 | 6 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL540542 | 10771 | 2 | None | 3 | 6 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
11057 | 175575 | 19 | None | -2 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
3468 | 175575 | 19 | None | -2 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
CHEMBL459265 | 175575 | 19 | None | -2 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
CHEMBL64894 | 175575 | 19 | None | -2 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
24900685 | 70014 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945033 | 70014 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
24901416 | 70016 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945035 | 70016 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
24900689 | 70020 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945039 | 70020 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
44329797 | 107620 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 261 | 5 | 2 | 5 | 1.7 | CC(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL319553 | 107620 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 261 | 5 | 2 | 5 | 1.7 | CC(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
122179430 | 120927 | 0 | None | -3 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
CHEMBL3582270 | 120927 | 0 | None | -3 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
42636941 | 178371 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
CHEMBL470432 | 178371 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
237 | 203157 | 43 | None | -1 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL546257 | 203157 | 43 | None | -1 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL554190 | 203157 | 43 | None | -1 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL7568 | 203157 | 43 | None | -1 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
2142 | 3047 | 54 | None | -5 | 36 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
4920903 | 3047 | 54 | None | -5 | 36 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
502 | 3047 | 54 | None | -5 | 36 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
5775 | 3047 | 54 | None | -5 | 36 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
CHEMBL597 | 3047 | 54 | None | -5 | 36 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
DB00692 | 3047 | 54 | None | -5 | 36 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
8459 | 3246 | 3 | None | - | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm960697s | ||
9891980 | 3246 | 3 | None | - | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm960697s | ||
CHEMBL430717 | 3246 | 3 | None | - | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm960697s | ||
25014630 | 83126 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
CHEMBL2203713 | 83126 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
85469812 | 136163 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3740351 | 136163 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
16738927 | 70015 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccn4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945034 | 70015 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccn4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
57400229 | 70045 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 497 | 12 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945298 | 70045 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 497 | 12 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
24900942 | 70046 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945299 | 70046 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
24900872 | 70019 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 12 | 5 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945038 | 70019 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 12 | 5 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
24900749 | 70038 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.8 | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945291 | 70038 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.8 | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
44362185 | 120516 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL356605 | 120516 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
57469 | 18678 | 120 | None | 1 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | ||
CHEMBL1282 | 18678 | 120 | None | 1 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | ||
213 | 3792 | 50 | None | -2 | 43 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
2717 | 3792 | 50 | None | -2 | 43 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
5533 | 3792 | 50 | None | -2 | 43 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
CHEMBL621 | 3792 | 50 | None | -2 | 43 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
DB00656 | 3792 | 50 | None | -2 | 43 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
5624 | 32474 | 12 | None | -39 | 10 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
CHEMBL1203324 | 32474 | 12 | None | -39 | 10 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
CHEMBL141343 | 32474 | 12 | None | -39 | 10 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
4543 | 169982 | 36 | None | -4 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL1201156 | 169982 | 36 | None | -4 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL445 | 169982 | 36 | None | -4 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
124 | 2933 | 44 | None | -380 | 32 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
2032 | 2933 | 44 | None | -380 | 32 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
4636 | 2933 | 44 | None | -380 | 32 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
CHEMBL762 | 2933 | 44 | None | -380 | 32 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
DB00935 | 2933 | 44 | None | -380 | 32 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
10660 | 14298 | 55 | None | -38 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
CHEMBL1200406 | 14298 | 55 | None | -38 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
10531 | 1392 | 18 | None | -28 | 24 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
121 | 1392 | 18 | None | -28 | 24 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
888 | 1392 | 18 | None | -28 | 24 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
CHEMBL1732 | 1392 | 18 | None | -28 | 24 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
DB00320 | 1392 | 18 | None | -28 | 24 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
9794803 | 10903 | 2 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL117381 | 10903 | 2 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
3157 | 1442 | 69 | None | -1 | 12 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
7170 | 1442 | 69 | None | -1 | 12 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
954 | 1442 | 69 | None | -1 | 12 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
CHEMBL707 | 1442 | 69 | None | -1 | 12 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
DB00590 | 1442 | 69 | None | -1 | 12 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
2726 | 906 | 64 | None | 1 | 72 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 906 | 64 | None | 1 | 72 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 906 | 64 | None | 1 | 72 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 906 | 64 | None | 1 | 72 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 906 | 64 | None | 1 | 72 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
31101 | 720 | 39 | None | -7 | 35 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
35 | 720 | 39 | None | -7 | 35 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
403 | 720 | 39 | None | -7 | 35 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
CHEMBL493 | 720 | 39 | None | -7 | 35 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
DB01200 | 720 | 39 | None | -7 | 35 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
4189 | 205195 | 91 | None | -18 | 34 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1559 | 205195 | 91 | None | -18 | 34 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL91 | 205195 | 91 | None | -18 | 34 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
191 | 399 | 92 | None | -23 | 28 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
201 | 399 | 92 | None | -23 | 28 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
2170 | 399 | 92 | None | -23 | 28 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
CHEMBL1113 | 399 | 92 | None | -23 | 28 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
DB00543 | 399 | 92 | None | -23 | 28 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
85469930 | 136351 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 0 | 4 | 4.8 | Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3742103 | 136351 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 0 | 4 | 4.8 | Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
57398562 | 70017 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 477 | 11 | 5 | 6 | 4.1 | CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945036 | 70017 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 477 | 11 | 5 | 6 | 4.1 | CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
24900751 | 70037 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.8 | CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945290 | 70037 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.8 | CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
24900812 | 70024 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 450 | 10 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945043 | 70024 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 450 | 10 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
26987 | 936 | 29 | None | -39 | 21 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
6063 | 936 | 29 | None | -39 | 21 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
671 | 936 | 29 | None | -39 | 21 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
CHEMBL1626 | 936 | 29 | None | -39 | 21 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
DB00283 | 936 | 29 | None | -39 | 21 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
44269124 | 28605 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL13789 | 28605 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | ||
2771 | 193347 | 67 | None | -9 | 26 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
CHEMBL1200781 | 193347 | 67 | None | -9 | 26 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
CHEMBL549 | 193347 | 67 | None | -9 | 26 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
1212 | 1632 | 45 | None | -18 | 65 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
204 | 1632 | 45 | None | -18 | 65 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
3372 | 1632 | 45 | None | -18 | 65 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
CHEMBL726 | 1632 | 45 | None | -18 | 65 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
DB00623 | 1632 | 45 | None | -18 | 65 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
1210 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
1213 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
2725 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
33036 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
4411 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
616 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
6976 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
716121 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
90475904 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL1201353 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL1554789 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL505 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
DB01114 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
DB13679 | 905 | 45 | None | -380 | 20 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
2274 | 3124 | 53 | None | -5 | 32 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
4917 | 3124 | 53 | None | -5 | 32 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
7279 | 3124 | 53 | None | -5 | 32 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
CHEMBL728 | 3124 | 53 | None | -5 | 32 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
DB00433 | 3124 | 53 | None | -5 | 32 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
56961507 | 120928 | 0 | None | -4 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
CHEMBL3582271 | 120928 | 0 | None | -4 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
85469933 | 136125 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3740019 | 136125 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
22493269 | 46563 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1ncoc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL154023 | 46563 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1ncoc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
135398737 | 944 | 89 | None | -2 | 91 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
38 | 944 | 89 | None | -2 | 91 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
722 | 944 | 89 | None | -2 | 91 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
DB00363 | 944 | 89 | None | -2 | 91 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
85469872 | 136282 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3741483 | 136282 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
85469811 | 136361 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3742198 | 136361 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
1530 | 2151 | 44 | None | -104 | 20 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
3827 | 2151 | 44 | None | -104 | 20 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
7206 | 2151 | 44 | None | -104 | 20 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
CHEMBL534 | 2151 | 44 | None | -104 | 20 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
DB00920 | 2151 | 44 | None | -104 | 20 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
22493280 | 48011 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL155327 | 48011 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
24901284 | 70043 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 545 | 12 | 5 | 6 | 5.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945296 | 70043 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 545 | 12 | 5 | 6 | 5.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
24901285 | 70044 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 545 | 11 | 5 | 6 | 5.2 | CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945297 | 70044 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 545 | 11 | 5 | 6 | 5.2 | CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2011.10.049 | ||
22493258 | 98211 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL277375 | 98211 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
4011 | 81996 | 43 | None | -19 | 23 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
CHEMBL21731 | 81996 | 43 | None | -19 | 23 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
24901209 | 70012 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945031 | 70012 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
57401435 | 70057 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 458 | 11 | 5 | 6 | 2.8 | O=c1ccc2c([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945503 | 70057 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 458 | 11 | 5 | 6 | 2.8 | O=c1ccc2c([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.10.049 | ||
22493352 | 48010 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL155326 | 48010 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
1588 | 2294 | 24 | None | -30 | 43 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
28864 | 2294 | 24 | None | -30 | 43 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
43 | 2294 | 24 | None | -30 | 43 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
CHEMBL157138 | 2294 | 24 | None | -30 | 43 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
DB00589 | 2294 | 24 | None | -30 | 43 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
10060965 | 35008 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 256 | 4 | 1 | 4 | 2.6 | Cc1ccoc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL143562 | 35008 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 256 | 4 | 1 | 4 | 2.6 | Cc1ccoc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
22493289 | 49420 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL156661 | 49420 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
10399043 | 119657 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 232 | 5 | 2 | 5 | 1.1 | CO/N=C/c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
CHEMBL351542 | 119657 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 232 | 5 | 2 | 5 | 1.1 | CO/N=C/c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
1028 | 287 | 69 | None | -8 | 29 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
139148732 | 287 | 69 | None | -8 | 29 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
479 | 287 | 69 | None | -8 | 29 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
5816 | 287 | 69 | None | -8 | 29 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
CHEMBL679 | 287 | 69 | None | -8 | 29 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
DB00668 | 287 | 69 | None | -8 | 29 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
122179431 | 120929 | 0 | None | 1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
CHEMBL3582272 | 120929 | 0 | None | 1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
3952 | 1857 | 33 | None | -6 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5353646 | 1857 | 33 | None | -6 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5443 | 1857 | 33 | None | -6 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5702063 | 1857 | 33 | None | -6 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL1331786 | 1857 | 33 | None | -6 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL420 | 1857 | 33 | None | -6 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
3652 | 45983 | 62 | None | 1 | 9 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | nan | ||
CHEMBL1535 | 45983 | 62 | None | 1 | 9 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | nan | ||
134551 | 355 | 25 | None | -10 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
271 | 355 | 25 | None | -10 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
885 | 355 | 25 | None | -10 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
CHEMBL1403281 | 355 | 25 | None | -10 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
1043 | 1552 | 13 | None | -263 | 28 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
149 | 1552 | 13 | None | -263 | 28 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
8223 | 1552 | 13 | None | -263 | 28 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
CHEMBL442 | 1552 | 13 | None | -263 | 28 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
DB00696 | 1552 | 13 | None | -263 | 28 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
85469755 | 136246 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 6 | 0 | 4 | 4.1 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3741161 | 136246 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 6 | 0 | 4 | 4.1 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
1016 | 3690 | 75 | None | -22 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2561 | 3690 | 75 | None | -22 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2733526 | 3690 | 75 | None | -22 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
5384 | 3690 | 75 | None | -22 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL83 | 3690 | 75 | None | -22 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
DB00675 | 3690 | 75 | None | -22 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
100 | 3745 | 52 | None | -1 | 55 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
2637 | 3745 | 52 | None | -1 | 55 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
5452 | 3745 | 52 | None | -1 | 55 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
CHEMBL479 | 3745 | 52 | None | -1 | 55 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
DB00679 | 3745 | 52 | None | -1 | 55 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
24901210 | 69985 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 497 | 11 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1944690 | 69985 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 497 | 11 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
24901349 | 69987 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1944692 | 69987 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
24901283 | 70039 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945292 | 70039 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
57395043 | 70048 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 420 | 12 | 5 | 5 | 3.1 | OCc1cc([C@@H](O)CNCCc2ccc(CNCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945300 | 70048 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 420 | 12 | 5 | 5 | 3.1 | OCc1cc([C@@H](O)CNCCc2ccc(CNCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.10.049 | ||
9837963 | 62642 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
CHEMBL17851 | 62642 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
9795167 | 107008 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL318544 | 107008 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
1201549 | 590 | 22 | None | -12 | 20 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
333 | 590 | 22 | None | -12 | 20 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
7601 | 590 | 22 | None | -12 | 20 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1201203 | 590 | 22 | None | -12 | 20 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL438151 | 590 | 22 | None | -12 | 20 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
DB00245 | 590 | 22 | None | -12 | 20 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
1531 | 2235 | 64 | None | -14 | 14 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
3869 | 2235 | 64 | None | -14 | 14 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
7207 | 2235 | 64 | None | -14 | 14 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
CHEMBL429 | 2235 | 64 | None | -14 | 14 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
DB00598 | 2235 | 64 | None | -14 | 14 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
44362195 | 120576 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
CHEMBL357129 | 120576 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
44269124 | 28605 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL13789 | 28605 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(02)00753-9 | ||
4418 | 34000 | 80 | None | 1 | 7 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL142635 | 34000 | 80 | None | 1 | 7 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2015.11.020 | ||
16215415 | 186749 | 1 | None | -3 | 5 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 471 | 9 | 2 | 3 | 3.8 | CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br | 10.1021/np800339e | ||
CHEMBL493091 | 186749 | 1 | None | -3 | 5 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 471 | 9 | 2 | 3 | 3.8 | CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br | 10.1021/np800339e | ||
44343410 | 11450 | 2 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL118055 | 11450 | 2 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
24901141 | 70195 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1947157 | 70195 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
85469868 | 136257 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 6 | 0 | 5 | 3.7 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3741260 | 136257 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 6 | 0 | 5 | 3.7 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
24900874 | 70040 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945293 | 70040 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
9816986 | 163587 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL421011 | 163587 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
9903313 | 172109 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL450018 | 172109 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
107715 | 199260 | 18 | None | -13 | 20 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
CHEMBL1255837 | 199260 | 18 | None | -13 | 20 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
CHEMBL601773 | 199260 | 18 | None | -13 | 20 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
24901351 | 69989 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1944694 | 69989 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
85469753 | 136238 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 503 | 6 | 0 | 4 | 4.6 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Br)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3741079 | 136238 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 503 | 6 | 0 | 4 | 4.6 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Br)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
2247 | 502 | 77 | None | -31 | 41 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 502 | 77 | None | -31 | 41 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 502 | 77 | None | -31 | 41 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 502 | 77 | None | -31 | 41 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 502 | 77 | None | -31 | 41 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
24901348 | 69984 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1944689 | 69984 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
24901211 | 69988 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1944693 | 69988 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
24900813 | 70023 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 467 | 10 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945042 | 70023 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 467 | 10 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
57401436 | 70058 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
CHEMBL1945504 | 70058 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
3033538 | 1292 | 36 | None | 1 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
7155 | 1292 | 36 | None | 1 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
781 | 1292 | 36 | None | 1 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
CHEMBL1201216 | 1292 | 36 | None | 1 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
DB00298 | 1292 | 36 | None | 1 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
118112300 | 155453 | 12 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 430 | 6 | 2 | 6 | 3.8 | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F | 10.1016/j.bmcl.2017.03.085 | ||
CHEMBL4061793 | 155453 | 12 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 430 | 6 | 2 | 6 | 3.8 | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F | 10.1016/j.bmcl.2017.03.085 | ||
85469870 | 136127 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3740042 | 136127 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
135 | 2496 | 38 | None | -10 | 57 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
1796 | 2496 | 38 | None | -10 | 57 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
4184 | 2496 | 38 | None | -10 | 57 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
CHEMBL6437 | 2496 | 38 | None | -10 | 57 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
DB06148 | 2496 | 38 | None | -10 | 57 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
3168 | 9172 | 84 | None | -29 | 21 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
CHEMBL1108 | 9172 | 84 | None | -29 | 21 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
1353 | 1880 | 85 | None | -10 | 85 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
3559 | 1880 | 85 | None | -10 | 85 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
86 | 1880 | 85 | None | -10 | 85 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
CHEMBL54 | 1880 | 85 | None | -10 | 85 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
DB00502 | 1880 | 85 | None | -10 | 85 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
85469809 | 136178 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 467 | 7 | 0 | 5 | 4.1 | CC(=O)c1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3740558 | 136178 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 467 | 7 | 0 | 5 | 4.1 | CC(=O)c1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
44343247 | 110146 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL325745 | 110146 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
3198 | 203802 | 73 | None | -30 | 34 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1201049 | 203802 | 73 | None | -30 | 34 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL808 | 203802 | 73 | None | -30 | 34 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
10198532 | 205962 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
CHEMBL95523 | 205962 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
2389 | 3279 | 114 | None | -23 | 67 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
5073 | 3279 | 114 | None | -23 | 67 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
96 | 3279 | 114 | None | -23 | 67 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
CHEMBL85 | 3279 | 114 | None | -23 | 67 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
DB00734 | 3279 | 114 | None | -23 | 67 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
135398745 | 2869 | 108 | None | -24 | 65 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
47 | 2869 | 108 | None | -24 | 65 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
CHEMBL715 | 2869 | 108 | None | -24 | 65 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
DB00334 | 2869 | 108 | None | -24 | 65 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
44343257 | 10400 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 250 | 4 | 1 | 2 | 3.7 | c1ccc(-c2ccccc2OCc2c[nH]cn2)cc1 | 10.1016/s0960-894x(02)00753-9 | ||
CHEMBL116700 | 10400 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 250 | 4 | 1 | 2 | 3.7 | c1ccc(-c2ccccc2OCc2c[nH]cn2)cc1 | 10.1016/s0960-894x(02)00753-9 | ||
85469757 | 136216 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 468 | 6 | 0 | 5 | 3.9 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1 | 10.1016/j.bmc.2015.11.020 | ||
CHEMBL3740874 | 136216 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 468 | 6 | 0 | 5 | 3.9 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1 | 10.1016/j.bmc.2015.11.020 | ||
2337 | 3205 | 72 | None | -2 | 62 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
50 | 3205 | 72 | None | -2 | 62 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
5002 | 3205 | 72 | None | -2 | 62 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
CHEMBL716 | 3205 | 72 | None | -2 | 62 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
DB01224 | 3205 | 72 | None | -2 | 62 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
2351 | 3234 | 60 | None | -8 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
2820 | 3234 | 60 | None | -8 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
5035 | 3234 | 60 | None | -8 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
CHEMBL81 | 3234 | 60 | None | -8 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
DB00481 | 3234 | 60 | None | -8 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
491 | 191 | 4 | None | 3 | 12 | Rat | 10.7 | pKd | = | 10.7 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
9891167 | 191 | 4 | None | 3 | 12 | Rat | 10.7 | pKd | = | 10.7 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL13856 | 191 | 4 | None | 3 | 12 | Rat | 10.7 | pKd | = | 10.7 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
490 | 190 | 5 | None | 2 | 12 | Rat | 10.6 | pKd | = | 10.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
9890547 | 190 | 5 | None | 2 | 12 | Rat | 10.6 | pKd | = | 10.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL268758 | 190 | 5 | None | 2 | 12 | Rat | 10.6 | pKd | = | 10.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
71817547 | 102105 | 0 | None | 7 | 7 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
CHEMBL2419771 | 102105 | 0 | None | 7 | 7 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
CHEMBL3040800 | 102105 | 0 | None | 7 | 7 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
71817386 | 102113 | 0 | None | -1 | 7 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL2419769 | 102113 | 0 | None | -1 | 7 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL3040851 | 102113 | 0 | None | -1 | 7 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
3584 | 3718 | 60 | None | -1 | 14 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | ||
5401 | 3718 | 60 | None | -1 | 14 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | ||
7302 | 3718 | 60 | None | -1 | 14 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | ||
4418 | 34000 | 80 | None | -12 | 7 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL142635 | 34000 | 80 | None | -12 | 7 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
73438500 | 118023 | 0 | None | 2 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 392 | 7 | 2 | 4 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc3[nH]ccc3c2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL3415011 | 118023 | 0 | None | 2 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 392 | 7 | 2 | 4 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc3[nH]ccc3c2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
10252540 | 84933 | 1 | None | -416 | 6 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL2261604 | 84933 | 1 | None | -416 | 6 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
155534921 | 171421 | 0 | None | -1 | 3 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 461 | 8 | 2 | 6 | 3.9 | COc1ccc(OC)c(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)c1 | 10.1016/j.bmc.2016.09.010 | ||
CHEMBL4471070 | 171421 | 0 | None | -1 | 3 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 461 | 8 | 2 | 6 | 3.9 | COc1ccc(OC)c(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)c1 | 10.1016/j.bmc.2016.09.010 | ||
4418 | 34000 | 80 | None | -12 | 7 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2019.05.004 | ||
CHEMBL142635 | 34000 | 80 | None | -12 | 7 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2019.05.004 | ||
73437678 | 118029 | 0 | None | 4 | 3 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 470 | 7 | 2 | 4 | 3.9 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL3415017 | 118029 | 0 | None | 4 | 3 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 470 | 7 | 2 | 4 | 3.9 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
148102091 | 173361 | 0 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 444 | 7 | 1 | 8 | 1.6 | COc1cc2c(cc1OCC(O)CN1CCN(C(=O)c3ccco3)CC1)C(=O)C(C)OC2 | 10.1016/j.bmc.2019.05.004 | ||
CHEMBL4540946 | 173361 | 0 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 444 | 7 | 1 | 8 | 1.6 | COc1cc2c(cc1OCC(O)CN1CCN(C(=O)c3ccco3)CC1)C(=O)C(C)OC2 | 10.1016/j.bmc.2019.05.004 | ||
73437729 | 118030 | 0 | None | 2 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL3415018 | 118030 | 0 | None | 2 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
155567902 | 175421 | 0 | None | -5 | 3 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 0.9 | COc1cc2c(cc1OCC(O)CN1CCN(C(=O)C3CCCO3)CC1)C(=O)C(C)OC2 | 10.1016/j.bmc.2019.05.004 | ||
CHEMBL4589115 | 175421 | 0 | None | -5 | 3 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 0.9 | COc1cc2c(cc1OCC(O)CN1CCN(C(=O)C3CCCO3)CC1)C(=O)C(C)OC2 | 10.1016/j.bmc.2019.05.004 | ||
71817549 | 102107 | 0 | None | -2 | 7 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
CHEMBL3040803 | 102107 | 0 | None | -2 | 7 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
CHEMBL3216590 | 102107 | 0 | None | -2 | 7 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
118733023 | 118032 | 0 | None | 2 | 3 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL3415020 | 118032 | 0 | None | 2 | 3 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
76326562 | 105725 | 0 | None | -154 | 4 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL2261608 | 105725 | 0 | None | -154 | 4 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL3138761 | 105725 | 0 | None | -154 | 4 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
148774769 | 173315 | 0 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 456 | 8 | 1 | 8 | 2.4 | COc1cc2c(cc1OCC(O)CN1CCN(c3ccccc3OC)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | ||
CHEMBL4539815 | 173315 | 0 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 456 | 8 | 1 | 8 | 2.4 | COc1cc2c(cc1OCC(O)CN1CCN(c3ccccc3OC)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | ||
127040061 | 136403 | 0 | None | -6 | 5 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
CHEMBL3739932 | 136403 | 0 | None | -6 | 5 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
CHEMBL3742489 | 136403 | 0 | None | -6 | 5 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
73437675 | 118027 | 0 | None | 2 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 408 | 7 | 3 | 5 | 2.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL3415015 | 118027 | 0 | None | 2 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 408 | 7 | 3 | 5 | 2.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
9950711 | 108719 | 0 | None | -154 | 4 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
CHEMBL321644 | 108719 | 0 | None | -154 | 4 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
73437730 | 118028 | 0 | None | 2 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 437 | 8 | 2 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL3415016 | 118028 | 0 | None | 2 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 437 | 8 | 2 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
155563192 | 174750 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 2.4 | COc1ccc2c(c1OCC(O)CN1CCN(c3ccccc3)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | ||
CHEMBL4573703 | 174750 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 2.4 | COc1ccc2c(c1OCC(O)CN1CCN(c3ccccc3)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | ||
86288950 | 112146 | 0 | None | 2 | 6 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 452 | 8 | 0 | 4 | 3.9 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3F)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | ||
CHEMBL3233666 | 112146 | 0 | None | 2 | 6 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 452 | 8 | 0 | 4 | 3.9 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3F)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | ||
CHEMBL3302931 | 112146 | 0 | None | 2 | 6 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 452 | 8 | 0 | 4 | 3.9 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3F)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | ||
71817545 | 91692 | 0 | None | 2 | 7 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL2419765 | 91692 | 0 | None | 2 | 7 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
155546966 | 173058 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 0.9 | COc1ccc2c(c1OCC(O)CN1CCN(C(=O)C3CCCO3)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | ||
CHEMBL4533900 | 173058 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 0.9 | COc1ccc2c(c1OCC(O)CN1CCN(C(=O)C3CCCO3)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | ||
73437673 | 118025 | 0 | None | 5 | 3 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 420 | 9 | 2 | 4 | 3.4 | COc1ccccc1N1CCN(CCCNC(=O)CCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL3415013 | 118025 | 0 | None | 5 | 3 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 420 | 9 | 2 | 4 | 3.4 | COc1ccccc1N1CCN(CCCNC(=O)CCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
2419 | 688 | 22 | None | -3 | 12 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm400867d | ||
9 | 688 | 22 | None | -3 | 12 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm400867d | ||
CHEMBL13647 | 688 | 22 | None | -3 | 12 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm400867d | ||
155569671 | 175621 | 0 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 470 | 9 | 1 | 8 | 2.8 | CCOc1ccccc1N1CCN(CC(O)COc2cc3c(cc2OC)COC(C)C3=O)CC1 | 10.1016/j.bmc.2019.05.004 | ||
CHEMBL4593702 | 175621 | 0 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 470 | 9 | 1 | 8 | 2.8 | CCOc1ccccc1N1CCN(CC(O)COc2cc3c(cc2OC)COC(C)C3=O)CC1 | 10.1016/j.bmc.2019.05.004 | ||
73437674 | 118026 | 0 | None | 2 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 434 | 10 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL3415014 | 118026 | 0 | None | 2 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 434 | 10 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
127040157 | 136404 | 0 | None | -1 | 5 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
CHEMBL3739897 | 136404 | 0 | None | -1 | 5 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
CHEMBL3742490 | 136404 | 0 | None | -1 | 5 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
73438501 | 118024 | 0 | None | 1 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL3415012 | 118024 | 0 | None | 1 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
73437677 | 118031 | 0 | None | 9 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 406 | 7 | 1 | 5 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2cn(C)c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL3415019 | 118031 | 0 | None | 9 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 406 | 7 | 1 | 5 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2cn(C)c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
10252540 | 84933 | 1 | None | -416 | 6 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL2261604 | 84933 | 1 | None | -416 | 6 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
73437676 | 117992 | 0 | None | 1 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 422 | 8 | 2 | 5 | 3.1 | COc1ccc2[nH]c(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)cc2c1 | 10.1016/j.ejmech.2015.04.005 | ||
CHEMBL3414578 | 117992 | 0 | None | 1 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 422 | 8 | 2 | 5 | 3.1 | COc1ccc2[nH]c(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)cc2c1 | 10.1016/j.ejmech.2015.04.005 | ||
76330229 | 105754 | 0 | None | -190 | 4 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL2261605 | 105754 | 0 | None | -190 | 4 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL3138857 | 105754 | 0 | None | -190 | 4 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
9903797 | 9348 | 5 | None | -18 | 4 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | ||
CHEMBL111734 | 9348 | 5 | None | -18 | 4 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | ||
2419 | 688 | 22 | None | -3 | 12 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
9 | 688 | 22 | None | -3 | 12 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL13647 | 688 | 22 | None | -3 | 12 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
9976756 | 6529 | 0 | None | -1 | 5 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
CHEMBL1083181 | 6529 | 0 | None | -1 | 5 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
CHEMBL37883 | 6529 | 0 | None | -1 | 5 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
147858071 | 170372 | 0 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 2.4 | COc1cc2c(cc1OCC(O)CN1CCN(c3ccccc3)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | ||
CHEMBL4455376 | 170372 | 0 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 2.4 | COc1cc2c(cc1OCC(O)CN1CCN(c3ccccc3)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | ||
9838192 | 110824 | 13 | None | -2 | 6 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | ||
CHEMBL326702 | 110824 | 13 | None | -2 | 6 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | ||
86288949 | 112128 | 0 | None | 5 | 5 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 434 | 8 | 0 | 4 | 3.8 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | ||
CHEMBL3233665 | 112128 | 0 | None | 5 | 5 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 434 | 8 | 0 | 4 | 3.8 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | ||
CHEMBL3302599 | 112128 | 0 | None | 5 | 5 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 434 | 8 | 0 | 4 | 3.8 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | ||
76326541 | 84917 | 0 | None | -60 | 4 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
CHEMBL2261355 | 84917 | 0 | None | -60 | 4 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
155559152 | 174208 | 0 | None | 21 | 3 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 431 | 7 | 2 | 5 | 3.9 | COc1ccc(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmc.2016.09.010 | ||
CHEMBL4561614 | 174208 | 0 | None | 21 | 3 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 431 | 7 | 2 | 5 | 3.9 | COc1ccc(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmc.2016.09.010 | ||
76308474 | 105753 | 0 | None | -102 | 5 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | ||
CHEMBL2261607 | 105753 | 0 | None | -102 | 5 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | ||
CHEMBL3138856 | 105753 | 0 | None | -102 | 5 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | ||
76323010 | 105767 | 0 | None | -104 | 4 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL2261606 | 105767 | 0 | None | -104 | 4 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL3138929 | 105767 | 0 | None | -104 | 4 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
521 | 1377 | 64 | None | 2 | 7 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm0003891 | ||
5311068 | 1377 | 64 | None | 2 | 7 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm0003891 | ||
835 | 1377 | 64 | None | 2 | 7 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm0003891 | ||
CHEMBL778 | 1377 | 64 | None | 2 | 7 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm0003891 | ||
DB00633 | 1377 | 64 | None | 2 | 7 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm0003891 | ||
164089 | 109864 | 20 | None | 1 | 5 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | ||
CHEMBL324090 | 109864 | 20 | None | 1 | 5 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | ||
11583392 | 72569 | 1 | None | 7 | 4 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1 | 10.1021/jm0580398 | ||
CHEMBL200446 | 72569 | 1 | None | 7 | 4 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1 | 10.1021/jm0580398 | ||
9891213 | 160955 | 0 | None | 4 | 6 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4128084 | 160955 | 0 | None | 4 | 6 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
164089 | 109864 | 20 | None | -1 | 5 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | ||
CHEMBL324090 | 109864 | 20 | None | -1 | 5 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | ||
11554541 | 71464 | 0 | None | 7 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1 | 10.1021/jm0580398 | ||
CHEMBL196817 | 71464 | 0 | None | 7 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1 | 10.1021/jm0580398 | ||
11626704 | 72109 | 0 | None | 3 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 | 10.1021/jm0580398 | ||
CHEMBL198860 | 72109 | 0 | None | 3 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 | 10.1021/jm0580398 | ||
90645598 | 111927 | 0 | None | 16 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 668 | 12 | 2 | 9 | 4.5 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3297829 | 111927 | 0 | None | 16 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 668 | 12 | 2 | 9 | 4.5 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
9824384 | 118282 | 1 | None | -2 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL342062 | 118282 | 1 | None | -2 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
11712470 | 71661 | 0 | None | 5 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 | 10.1021/jm0580398 | ||
CHEMBL197442 | 71661 | 0 | None | 5 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 | 10.1021/jm0580398 | ||
11604548 | 72543 | 0 | None | 3 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1 | 10.1021/jm0580398 | ||
CHEMBL200366 | 72543 | 0 | None | 3 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1 | 10.1021/jm0580398 | ||
145962342 | 160876 | 0 | None | 2 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@@H]3CCCC[C@@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4126860 | 160876 | 0 | None | 2 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@@H]3CCCC[C@@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | ||
10364994 | 167322 | 0 | None | 6 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1021/jm0580398 | ||
CHEMBL43116 | 167322 | 0 | None | 6 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1021/jm0580398 | ||
10364994 | 167322 | 0 | None | 6 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL43116 | 167322 | 0 | None | 6 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
9883062 | 59030 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 192 | 3 | 1 | 2 | 2.6 | CCc1sccc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL170694 | 59030 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 192 | 3 | 1 | 2 | 2.6 | CCc1sccc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1744288 | 59030 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 192 | 3 | 1 | 2 | 2.6 | CCc1sccc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
10782052 | 120237 | 1 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 3.6 | Brc1csc(Cc2c[nH]cn2)c1Br | 10.1021/jm0003891 | ||
CHEMBL1203855 | 120237 | 1 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 3.6 | Brc1csc(Cc2c[nH]cn2)c1Br | 10.1021/jm0003891 | ||
CHEMBL355045 | 120237 | 1 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 3.6 | Brc1csc(Cc2c[nH]cn2)c1Br | 10.1021/jm0003891 | ||
129211 | 3692 | 75 | None | -1 | 16 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | ||
2562 | 3692 | 75 | None | -1 | 16 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | ||
488 | 3692 | 75 | None | -1 | 16 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | ||
12765746 | 101810 | 3 | None | 2 | 10 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL303313 | 101810 | 3 | None | 2 | 10 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | ||
9992606 | 165158 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1cscc1Br | 10.1021/jm0003891 | ||
CHEMBL1788145 | 165158 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1cscc1Br | 10.1021/jm0003891 | ||
CHEMBL424573 | 165158 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1cscc1Br | 10.1021/jm0003891 | ||
34580 | 17709 | 2 | None | 1 | 4 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 335 | 1 | 0 | 4 | 3.6 | CN1CCN(C2Cc3ccccc3Sc3ccc(C#N)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1259112 | 17709 | 2 | None | 1 | 4 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 335 | 1 | 0 | 4 | 3.6 | CN1CCN(C2Cc3ccccc3Sc3ccc(C#N)cc32)CC1 | 10.1021/jm100652h | ||
10775970 | 119937 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 232 | 2 | 1 | 2 | 3.4 | Clc1cc(Cc2c[nH]cn2)c(Cl)s1 | 10.1021/jm0003891 | ||
CHEMBL1744273 | 119937 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 232 | 2 | 1 | 2 | 3.4 | Clc1cc(Cc2c[nH]cn2)c(Cl)s1 | 10.1021/jm0003891 | ||
CHEMBL353904 | 119937 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 232 | 2 | 1 | 2 | 3.4 | Clc1cc(Cc2c[nH]cn2)c(Cl)s1 | 10.1021/jm0003891 | ||
11742834 | 165217 | 0 | None | -2 | 7 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
CHEMBL42472 | 165217 | 0 | None | -2 | 7 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
11984570 | 92372 | 0 | None | -2 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
CHEMBL243694 | 92372 | 0 | None | -2 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
9813184 | 120257 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 214 | 2 | 1 | 2 | 3.2 | c1ccc2c(Cc3c[nH]cn3)csc2c1 | 10.1021/jm0003891 | ||
CHEMBL1744270 | 120257 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 214 | 2 | 1 | 2 | 3.2 | c1ccc2c(Cc3c[nH]cn3)csc2c1 | 10.1021/jm0003891 | ||
CHEMBL355340 | 120257 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 214 | 2 | 1 | 2 | 3.2 | c1ccc2c(Cc3c[nH]cn3)csc2c1 | 10.1021/jm0003891 | ||
11669646 | 72602 | 0 | None | 3 | 4 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1 | 10.1021/jm0580398 | ||
CHEMBL200580 | 72602 | 0 | None | 3 | 4 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1 | 10.1021/jm0580398 | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | ||
10845433 | 59057 | 1 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1csc(C)c1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL170806 | 59057 | 1 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1csc(C)c1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1744272 | 59057 | 1 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1csc(C)c1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
9822814 | 101479 | 0 | None | 72 | 5 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL301224 | 101479 | 0 | None | 72 | 5 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
11539392 | 140711 | 0 | None | 6 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C | 10.1021/jm0580398 | ||
CHEMBL382972 | 140711 | 0 | None | 6 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C | 10.1021/jm0580398 | ||
9954092 | 194971 | 0 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL56438 | 194971 | 0 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
9954092 | 194971 | 0 | None | -1 | 6 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL56438 | 194971 | 0 | None | -1 | 6 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
10434440 | 203783 | 0 | None | 4 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 461 | 8 | 1 | 8 | 2.9 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL80641 | 203783 | 0 | None | 4 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 461 | 8 | 1 | 8 | 2.9 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
44431620 | 86639 | 0 | None | 102 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL232609 | 86639 | 0 | None | 102 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
9908478 | 193963 | 0 | None | 6 | 8 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm030944+ | ||
CHEMBL556313 | 193963 | 0 | None | 6 | 8 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm030944+ | ||
49781892 | 17719 | 0 | None | -1 | 4 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
CHEMBL1259144 | 17719 | 0 | None | -1 | 4 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
90645597 | 111997 | 0 | None | 2 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 654 | 12 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298750 | 111997 | 0 | None | 2 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 654 | 12 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
12765746 | 101810 | 3 | None | 2 | 10 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | ||
CHEMBL303313 | 101810 | 3 | None | 2 | 10 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | ||
52942381 | 17710 | 0 | None | -3 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 339 | 2 | 1 | 4 | 3.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(CN)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1259113 | 17710 | 0 | None | -3 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 339 | 2 | 1 | 4 | 3.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(CN)cc32)CC1 | 10.1021/jm100652h | ||
10430193 | 161050 | 0 | None | 4 | 6 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4129461 | 161050 | 0 | None | 4 | 6 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
16721110 | 83275 | 0 | None | 7 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 451 | 5 | 1 | 6 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
CHEMBL220515 | 83275 | 0 | None | 7 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 451 | 5 | 1 | 6 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
132266 | 1252 | 9 | None | -11 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
486 | 1252 | 9 | None | -11 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
CHEMBL423294 | 1252 | 9 | None | -11 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
45268939 | 194985 | 0 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
CHEMBL564481 | 194985 | 0 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
491 | 191 | 4 | None | 3 | 12 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
9891167 | 191 | 4 | None | 3 | 12 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL13856 | 191 | 4 | None | 3 | 12 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/acs.jmedchem.9b01465 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/acs.jmedchem.9b01465 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/acs.jmedchem.9b01465 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/acs.jmedchem.9b01465 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/acs.jmedchem.9b01465 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/acs.jmedchem.9b01465 | ||
49781893 | 17720 | 0 | None | -1 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
CHEMBL1259145 | 17720 | 0 | None | -1 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
10655390 | 119932 | 1 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1csc(Cc2c[nH]cn2)c1C | 10.1021/jm0003891 | ||
CHEMBL1203846 | 119932 | 1 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1csc(Cc2c[nH]cn2)c1C | 10.1021/jm0003891 | ||
CHEMBL353870 | 119932 | 1 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1csc(Cc2c[nH]cn2)c1C | 10.1021/jm0003891 | ||
52947579 | 16869 | 0 | None | 2 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 439 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1254582 | 16869 | 0 | None | 2 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 439 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
9844321 | 100394 | 0 | None | 54 | 5 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL293539 | 100394 | 0 | None | 54 | 5 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.5b01528 | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.5b01528 | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.5b01528 | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.5b01528 | ||
10706270 | 120309 | 1 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | ||
CHEMBL1237159 | 120309 | 1 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | ||
CHEMBL355784 | 120309 | 1 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | ||
44289437 | 169296 | 0 | None | 1 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
CHEMBL44403 | 169296 | 0 | None | 1 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
14423371 | 97005 | 1 | None | -1 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL27013 | 97005 | 1 | None | -1 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
11633517 | 72180 | 0 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1 | 10.1021/jm0580398 | ||
CHEMBL199080 | 72180 | 0 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1 | 10.1021/jm0580398 | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | ||
9823115 | 196926 | 0 | None | 85 | 5 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 414 | 4 | 0 | 5 | 3.0 | N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
CHEMBL57868 | 196926 | 0 | None | 85 | 5 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 414 | 4 | 0 | 5 | 3.0 | N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | ||
44431180 | 92417 | 0 | None | 9 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 497 | 5 | 0 | 5 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
CHEMBL243864 | 92417 | 0 | None | 9 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 497 | 5 | 0 | 5 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
4209 | 3114 | 71 | None | -4 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | ||
4893 | 3114 | 71 | None | -4 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | ||
503 | 3114 | 71 | None | -4 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | ||
5385 | 3114 | 71 | None | -4 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | ||
CHEMBL2 | 3114 | 71 | None | -4 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | ||
DB00457 | 3114 | 71 | None | -4 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | ||
10812130 | 197502 | 0 | None | -2 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | ||
CHEMBL58956 | 197502 | 0 | None | -2 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | ||
49782998 | 17735 | 0 | None | -1 | 6 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
CHEMBL1259190 | 17735 | 0 | None | -1 | 6 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
490 | 190 | 5 | None | 2 | 12 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
9890547 | 190 | 5 | None | 2 | 12 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL268758 | 190 | 5 | None | 2 | 12 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
13911290 | 27960 | 0 | None | -1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL13735 | 27960 | 0 | None | -1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | ||
6603950 | 201633 | 9 | None | 1 | 9 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL64875 | 201633 | 9 | None | 1 | 9 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | ||
11776530 | 120308 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1744289 | 120308 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL355783 | 120308 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
10622402 | 201072 | 0 | None | -6 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 427 | 5 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | ||
CHEMBL62028 | 201072 | 0 | None | -6 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 427 | 5 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | ||
49781452 | 17684 | 0 | None | -1 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 388 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cncnc4)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1259042 | 17684 | 0 | None | -1 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 388 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cncnc4)cc32)CC1 | 10.1021/jm100652h | ||
10097792 | 118084 | 0 | None | -1 | 8 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL341665 | 118084 | 0 | None | -1 | 8 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
50905381 | 56056 | 0 | None | 1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 422 | 11 | 2 | 6 | 2.7 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
CHEMBL1630938 | 56056 | 0 | None | 1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 422 | 11 | 2 | 6 | 2.7 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
11134424 | 104252 | 0 | None | 1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 465 | 7 | 1 | 7 | 3.5 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm0009336 | ||
CHEMBL310599 | 104252 | 0 | None | 1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 465 | 7 | 1 | 7 | 3.5 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm0009336 | ||
10005161 | 203538 | 0 | None | -1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm0009336 | ||
CHEMBL78874 | 203538 | 0 | None | -1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm0009336 | ||
9847845 | 28241 | 0 | None | 1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL13754 | 28241 | 0 | None | 1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
499 | 4014 | 15 | None | -1 | 15 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960697s | ||
5685 | 4014 | 15 | None | -1 | 15 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960697s | ||
CHEMBL25554 | 4014 | 15 | None | -1 | 15 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960697s | ||
11712250 | 72654 | 0 | None | 2 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl | 10.1021/jm0580398 | ||
CHEMBL200839 | 72654 | 0 | None | 2 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl | 10.1021/jm0580398 | ||
490 | 190 | 5 | None | -2 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
9890547 | 190 | 5 | None | -2 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL268758 | 190 | 5 | None | -2 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
10673690 | 100036 | 0 | None | 1 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(N)=O)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL291073 | 100036 | 0 | None | 1 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(N)=O)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
10536288 | 119747 | 2 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.2 | CCc1cscc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1744263 | 119747 | 2 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.2 | CCc1cscc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL352348 | 119747 | 2 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.2 | CCc1cscc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
9955302 | 99704 | 0 | None | 1 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL287965 | 99704 | 0 | None | 1 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
10511960 | 120249 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 192 | 3 | 1 | 2 | 2.6 | CCc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1744278 | 120249 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 192 | 3 | 1 | 2 | 2.6 | CCc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL355231 | 120249 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 192 | 3 | 1 | 2 | 2.6 | CCc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
4209 | 3114 | 71 | None | -4 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
4893 | 3114 | 71 | None | -4 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
503 | 3114 | 71 | None | -4 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
5385 | 3114 | 71 | None | -4 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
CHEMBL2 | 3114 | 71 | None | -4 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
DB00457 | 3114 | 71 | None | -4 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
145946376 | 166957 | 0 | None | 426 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)[C@@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4207824 | 166957 | 0 | None | 426 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)[C@@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4299993 | 166957 | 0 | None | 426 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)[C@@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
4431 | 2689 | 18 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2006.12.111 | ||
73 | 2689 | 18 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2006.12.111 | ||
CHEMBL8618 | 2689 | 18 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2006.12.111 | ||
44431174 | 92371 | 0 | None | 8 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
CHEMBL243692 | 92371 | 0 | None | 8 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | ||
13911290 | 27960 | 0 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL13735 | 27960 | 0 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
10553935 | 161271 | 0 | None | 1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL41444 | 161271 | 0 | None | 1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
491 | 191 | 4 | None | -3 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
9891167 | 191 | 4 | None | -3 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL13856 | 191 | 4 | None | -3 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | ||
11532563 | 165826 | 0 | None | 6 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1 | 10.1021/jm0580398 | ||
CHEMBL427552 | 165826 | 0 | None | 6 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1 | 10.1021/jm0580398 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
49781447 | 17662 | 0 | None | -3 | 4 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 391 | 2 | 0 | 6 | 3.5 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ncn(C)n4)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1258988 | 17662 | 0 | None | -3 | 4 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 391 | 2 | 0 | 6 | 3.5 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ncn(C)n4)cc32)CC1 | 10.1021/jm100652h | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
50905585 | 56057 | 0 | None | 1 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 470 | 12 | 2 | 6 | 3.5 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
CHEMBL1630939 | 56057 | 0 | None | 1 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 470 | 12 | 2 | 6 | 3.5 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
3157 | 1442 | 69 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | ||
7170 | 1442 | 69 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | ||
954 | 1442 | 69 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | ||
CHEMBL707 | 1442 | 69 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | ||
DB00590 | 1442 | 69 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | ||
145956955 | 161552 | 0 | None | -1 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
CHEMBL4161165 | 161552 | 0 | None | -1 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
11505007 | 168357 | 0 | None | 3 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL438673 | 168357 | 0 | None | 3 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
10657835 | 119908 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1ccsc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1203850 | 119908 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1ccsc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL353666 | 119908 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1ccsc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
9847196 | 29967 | 0 | None | -1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL13903 | 29967 | 0 | None | -1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
4013695 | 101545 | 19 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL301707 | 101545 | 19 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
4013695 | 101545 | 19 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL301707 | 101545 | 19 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
4013695 | 101545 | 19 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
CHEMBL301707 | 101545 | 19 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
9887458 | 194000 | 0 | None | 70 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
CHEMBL55654 | 194000 | 0 | None | 70 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
11303253 | 196920 | 0 | None | 6 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 371 | 5 | 0 | 4 | 3.0 | COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
CHEMBL57859 | 196920 | 0 | None | 6 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 371 | 5 | 0 | 4 | 3.0 | COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
49781894 | 17724 | 0 | None | 1 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(CNC(=O)C(C)(C)C)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1259158 | 17724 | 0 | None | 1 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(CNC(=O)C(C)(C)C)cc32)CC1 | 10.1021/jm100652h | ||
10742076 | 99854 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
CHEMBL289361 | 99854 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
10411384 | 156622 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cnccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL40754 | 156622 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cnccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
90645596 | 111996 | 0 | None | 2 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 640 | 11 | 3 | 9 | 3.8 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298749 | 111996 | 0 | None | 2 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 640 | 11 | 3 | 9 | 3.8 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
10549596 | 84182 | 0 | None | -1 | 7 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153553 | 84182 | 0 | None | -1 | 7 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2221147 | 84182 | 0 | None | -1 | 7 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
52945803 | 16885 | 0 | None | 2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 451 | 15 | 1 | 6 | 5.1 | CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1254742 | 16885 | 0 | None | 2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 451 | 15 | 1 | 6 | 5.1 | CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
69782867 | 161035 | 0 | None | -2 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4129291 | 161035 | 0 | None | -2 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
11430491 | 62672 | 0 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
CHEMBL178673 | 62672 | 0 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
10583912 | 120301 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1cscc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1744271 | 120301 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1cscc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL355699 | 120301 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1cscc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
44420428 | 83081 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL220221 | 83081 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
44420428 | 83081 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
CHEMBL220221 | 83081 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
122179430 | 120927 | 0 | None | -3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
CHEMBL3582270 | 120927 | 0 | None | -3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
10822829 | 165013 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 220 | 4 | 1 | 2 | 3.2 | CCc1cc(Cc2c[nH]cn2)c(CC)s1 | 10.1021/jm0003891 | ||
CHEMBL1744276 | 165013 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 220 | 4 | 1 | 2 | 3.2 | CCc1cc(Cc2c[nH]cn2)c(CC)s1 | 10.1021/jm0003891 | ||
CHEMBL424210 | 165013 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 220 | 4 | 1 | 2 | 3.2 | CCc1cc(Cc2c[nH]cn2)c(CC)s1 | 10.1021/jm0003891 | ||
10971791 | 206577 | 0 | None | 7 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 417 | 5 | 1 | 7 | 3.4 | COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
CHEMBL99142 | 206577 | 0 | None | 7 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 417 | 5 | 1 | 7 | 3.4 | COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
10527466 | 200999 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 5 | 2 | 6 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(NC(C)=O)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL61598 | 200999 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 5 | 2 | 6 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(NC(C)=O)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
11464777 | 101335 | 0 | None | 32 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
CHEMBL300152 | 101335 | 0 | None | 32 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
11092254 | 203755 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 495 | 8 | 1 | 8 | 3.5 | COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL80458 | 203755 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 495 | 8 | 1 | 8 | 3.5 | COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
10074286 | 203793 | 0 | None | -2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 489 | 9 | 1 | 8 | 3.5 | COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL80730 | 203793 | 0 | None | -2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 489 | 9 | 1 | 8 | 3.5 | COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
10783054 | 120203 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 334 | 2 | 1 | 2 | 4.1 | CC(c1c[nH]cn1)c1scc(Br)c1Br | 10.1021/jm0003891 | ||
CHEMBL1744280 | 120203 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 334 | 2 | 1 | 2 | 4.1 | CC(c1c[nH]cn1)c1scc(Br)c1Br | 10.1021/jm0003891 | ||
CHEMBL354729 | 120203 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 334 | 2 | 1 | 2 | 4.1 | CC(c1c[nH]cn1)c1scc(Br)c1Br | 10.1021/jm0003891 | ||
44289248 | 168410 | 0 | None | -4 | 7 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
CHEMBL43905 | 168410 | 0 | None | -4 | 7 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
10726009 | 58886 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1sccc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL170134 | 58886 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1sccc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1744294 | 58886 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1sccc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
9837285 | 58722 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1ccsc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1203848 | 58722 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1ccsc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL169339 | 58722 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1ccsc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
9847845 | 28241 | 0 | None | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL13754 | 28241 | 0 | None | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
6603950 | 201633 | 9 | None | 1 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | ||
CHEMBL64875 | 201633 | 9 | None | 1 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | ||
10631172 | 59255 | 2 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL171772 | 59255 | 2 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1744291 | 59255 | 2 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | ||
24894147 | 194208 | 0 | None | 2 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
CHEMBL558890 | 194208 | 0 | None | 2 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
10834793 | 84156 | 0 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153557 | 84156 | 0 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2220925 | 84156 | 0 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
11430126 | 60239 | 0 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
CHEMBL175934 | 60239 | 0 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
10961351 | 162949 | 0 | None | -1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 1 | 7 | 3.0 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0009336 | ||
CHEMBL420205 | 162949 | 0 | None | -1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 1 | 7 | 3.0 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0009336 | ||
44431184 | 92418 | 0 | None | 2 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
CHEMBL243866 | 92418 | 0 | None | 2 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
10744687 | 99960 | 0 | None | 1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(N)=O)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL290388 | 99960 | 0 | None | 1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(N)=O)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
10527469 | 155724 | 1 | None | -1 | 16 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL40650 | 155724 | 1 | None | -1 | 16 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
499 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
5685 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
CHEMBL25554 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
499 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
5685 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
CHEMBL25554 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
499 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm030952q | ||
5685 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm030952q | ||
CHEMBL25554 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm030952q | ||
13305910 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182155 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL215421 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL3741808 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
499 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmc.2010.08.002 | ||
5685 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL25554 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmc.2010.08.002 | ||
52942152 | 16886 | 0 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 438 | 13 | 1 | 7 | 4.2 | COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1254743 | 16886 | 0 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 438 | 13 | 1 | 7 | 4.2 | COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
13305910 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL1182155 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL215421 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL3741808 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
499 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm991065j | ||
5685 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm991065j | ||
CHEMBL25554 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm991065j | ||
13305910 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL1182155 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL215421 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL3741808 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
499 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm800461k | ||
5685 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm800461k | ||
CHEMBL25554 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm800461k | ||
499 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm301525w | ||
5685 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm301525w | ||
CHEMBL25554 | 4014 | 15 | None | -1 | 15 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm301525w | ||
13305910 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
CHEMBL1182155 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
CHEMBL215421 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
CHEMBL3741808 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
13305910 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
CHEMBL1182155 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
CHEMBL215421 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
CHEMBL3741808 | 11731 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
10678154 | 170034 | 0 | None | -1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL445071 | 170034 | 0 | None | -1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
2894 | 206331 | 4 | None | -1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
CHEMBL97698 | 206331 | 4 | None | -1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
11234230 | 101231 | 0 | None | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 375 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL299454 | 101231 | 0 | None | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 375 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
132266 | 1252 | 9 | None | -26 | 9 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | ||
486 | 1252 | 9 | None | -26 | 9 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | ||
CHEMBL423294 | 1252 | 9 | None | -26 | 9 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | ||
90645592 | 111992 | 0 | None | 1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 555 | 7 | 2 | 8 | 4.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298745 | 111992 | 0 | None | 1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 555 | 7 | 2 | 8 | 4.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
10844296 | 199730 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL60471 | 199730 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
10767959 | 160399 | 0 | None | 2 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C#N)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL41155 | 160399 | 0 | None | 2 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C#N)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
121102 | 143434 | 1 | None | 3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 370 | 8 | 0 | 5 | 3.5 | CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
CHEMBL3902626 | 143434 | 1 | None | 3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 370 | 8 | 0 | 5 | 3.5 | CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
49781449 | 17669 | 0 | None | -2 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccn4)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1259006 | 17669 | 0 | None | -2 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccn4)cc32)CC1 | 10.1021/jm100652h | ||
10838523 | 100730 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL295741 | 100730 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
10763038 | 200988 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL61491 | 200988 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
10742076 | 99854 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
CHEMBL289361 | 99854 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
10698013 | 99974 | 0 | None | -2 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 518 | 5 | 1 | 7 | 3.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL290519 | 99974 | 0 | None | -2 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 518 | 5 | 1 | 7 | 3.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
44431602 | 144408 | 0 | None | 6 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL391035 | 144408 | 0 | None | 6 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
49782794 | 17734 | 0 | None | -2 | 6 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
CHEMBL1259189 | 17734 | 0 | None | -2 | 6 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
10504673 | 200986 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL61483 | 200986 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
44469973 | 139172 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 3.0 | CC(c1cccc(Cl)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3798124 | 139172 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 3.0 | CC(c1cccc(Cl)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
2435 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | ||
60149 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | ||
98 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | ||
CHEMBL12713 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | ||
DB06144 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | ||
2435 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | ||
60149 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | ||
98 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | ||
CHEMBL12713 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | ||
DB06144 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | ||
2435 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | ||
60149 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | ||
98 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | ||
CHEMBL12713 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | ||
DB06144 | 3533 | 78 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | ||
49781451 | 17676 | 0 | None | 1 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccncc4)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1259024 | 17676 | 0 | None | 1 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccncc4)cc32)CC1 | 10.1021/jm100652h | ||
11270912 | 197911 | 0 | None | 2 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 4.6 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL59262 | 197911 | 0 | None | 2 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 4.6 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
44431560 | 145045 | 0 | None | 2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL391530 | 145045 | 0 | None | 2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
10789770 | 100418 | 0 | None | -3 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL293695 | 100418 | 0 | None | -3 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
10502807 | 162595 | 0 | None | 3 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.1 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
CHEMBL417890 | 162595 | 0 | None | 3 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.1 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
10741071 | 168651 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(Cl)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL440865 | 168651 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(Cl)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
9932698 | 17727 | 0 | None | -3 | 6 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 435 | 6 | 2 | 4 | 3.4 | NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | ||
CHEMBL1259172 | 17727 | 0 | None | -3 | 6 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 435 | 6 | 2 | 4 | 3.4 | NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | ||
10797836 | 119892 | 2 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1cc(Cc2c[nH]cn2)c(C)s1 | 10.1021/jm0003891 | ||
CHEMBL1744277 | 119892 | 2 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1cc(Cc2c[nH]cn2)c(C)s1 | 10.1021/jm0003891 | ||
CHEMBL353505 | 119892 | 2 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1cc(Cc2c[nH]cn2)c(C)s1 | 10.1021/jm0003891 | ||
10718317 | 100060 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL291262 | 100060 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
71462043 | 84145 | 0 | None | -1 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153555 | 84145 | 0 | None | -1 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2220895 | 84145 | 0 | None | -1 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
10740369 | 200178 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 411 | 4 | 1 | 6 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL60721 | 200178 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 411 | 4 | 1 | 6 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
9891166 | 33392 | 0 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 476 | 6 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL14213 | 33392 | 0 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 476 | 6 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
10344976 | 100745 | 1 | None | -1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
CHEMBL29591 | 100745 | 1 | None | -1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
10606657 | 199803 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C)c(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL60510 | 199803 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C)c(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
10765077 | 99798 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 4 | 2 | 5 | 2.8 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
CHEMBL288809 | 99798 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 4 | 2 | 5 | 2.8 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
10839391 | 156828 | 0 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C#N)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL40780 | 156828 | 0 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C#N)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
52940951 | 16898 | 0 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 12 | 1 | 5 | 5.0 | COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1254828 | 16898 | 0 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 12 | 1 | 5 | 5.0 | COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
17753379 | 87375 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL233816 | 87375 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
10655911 | 119799 | 1 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 3.2 | Cc1csc(C(C)c2c[nH]cn2)c1C | 10.1021/jm0003891 | ||
CHEMBL1744281 | 119799 | 1 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 3.2 | Cc1csc(C(C)c2c[nH]cn2)c1C | 10.1021/jm0003891 | ||
CHEMBL352752 | 119799 | 1 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 3.2 | Cc1csc(C(C)c2c[nH]cn2)c1C | 10.1021/jm0003891 | ||
90645605 | 111946 | 0 | None | 1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 666 | 13 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298023 | 111946 | 0 | None | 1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 666 | 13 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
11857638 | 143278 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL390129 | 143278 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
10647175 | 130933 | 0 | None | -2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 449 | 5 | 1 | 7 | 2.1 | COC(=O)c1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | ||
CHEMBL369154 | 130933 | 0 | None | -2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 449 | 5 | 1 | 7 | 2.1 | COC(=O)c1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | ||
10693231 | 201074 | 0 | None | -5 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL62033 | 201074 | 0 | None | -5 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
9913988 | 17733 | 0 | None | -1 | 4 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 502 | 7 | 1 | 7 | 3.1 | Cn1nnc(Cc2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | ||
CHEMBL1259188 | 17733 | 0 | None | -1 | 4 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 502 | 7 | 1 | 7 | 3.1 | Cn1nnc(Cc2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | ||
1238 | 201484 | 21 | None | -3 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL64249 | 201484 | 21 | None | -3 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
9 | 688 | 22 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
10487999 | 59086 | 5 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1237160 | 59086 | 5 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL170960 | 59086 | 5 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
4209 | 3114 | 71 | None | -4 | 33 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
4893 | 3114 | 71 | None | -4 | 33 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
503 | 3114 | 71 | None | -4 | 33 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
5385 | 3114 | 71 | None | -4 | 33 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
CHEMBL2 | 3114 | 71 | None | -4 | 33 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
DB00457 | 3114 | 71 | None | -4 | 33 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
499 | 4014 | 15 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
5685 | 4014 | 15 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
CHEMBL25554 | 4014 | 15 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
44431587 | 87406 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL233849 | 87406 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
44431194 | 92128 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
CHEMBL243229 | 92128 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
52949448 | 16482 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1242352 | 16482 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
3157 | 1442 | 69 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | ||
7170 | 1442 | 69 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | ||
954 | 1442 | 69 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | ||
CHEMBL707 | 1442 | 69 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | ||
DB00590 | 1442 | 69 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | ||
3157 | 1442 | 69 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
7170 | 1442 | 69 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
954 | 1442 | 69 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
CHEMBL707 | 1442 | 69 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
DB00590 | 1442 | 69 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
57393527 | 71214 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | ||
CHEMBL1946777 | 71214 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | ||
CHEMBL1963046 | 71214 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | ||
57393527 | 71214 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
CHEMBL1946777 | 71214 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
CHEMBL1963046 | 71214 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
9864325 | 101268 | 0 | None | 1 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0491391 | ||
CHEMBL299691 | 101268 | 0 | None | 1 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0491391 | ||
44300018 | 196616 | 0 | None | 5 | 4 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL57593 | 196616 | 0 | None | 5 | 4 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
44420431 | 84313 | 0 | None | 4 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 468 | 5 | 0 | 7 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
CHEMBL222896 | 84313 | 0 | None | 4 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 468 | 5 | 0 | 7 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
11372228 | 101197 | 0 | None | 11 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 373 | 4 | 0 | 3 | 3.8 | O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | ||
CHEMBL299253 | 101197 | 0 | None | 11 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 373 | 4 | 0 | 3 | 3.8 | O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
49832191 | 166978 | 0 | None | 407 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4218307 | 166978 | 0 | None | 407 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4300210 | 166978 | 0 | None | 407 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
25025244 | 139566 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.3 | N#Cc1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3800606 | 139566 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.3 | N#Cc1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | ||
2894 | 206331 | 4 | None | -1 | 6 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm020938y | ||
CHEMBL97698 | 206331 | 4 | None | -1 | 6 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm020938y | ||
10696645 | 143590 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL39037 | 143590 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
2585 | 790 | 100 | None | -4 | 22 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
522 | 790 | 100 | None | -4 | 22 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
551 | 790 | 100 | None | -4 | 22 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
CHEMBL723 | 790 | 100 | None | -4 | 22 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
DB01136 | 790 | 100 | None | -4 | 22 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
10716965 | 167397 | 0 | None | -10 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(C)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL431720 | 167397 | 0 | None | -10 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(C)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
11454386 | 62777 | 0 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
CHEMBL178923 | 62777 | 0 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
9864325 | 101268 | 0 | None | -1 | 7 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm030944+ | ||
CHEMBL299691 | 101268 | 0 | None | -1 | 7 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm030944+ | ||
90645593 | 111993 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 569 | 8 | 2 | 8 | 3.9 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298746 | 111993 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 569 | 8 | 2 | 8 | 3.9 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
11619713 | 72472 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-] | 10.1021/jm0580398 | ||
CHEMBL200136 | 72472 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-] | 10.1021/jm0580398 | ||
52943356 | 16899 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.6 | COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1254829 | 16899 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.6 | COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
118716718 | 114514 | 0 | None | 3 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342871 | 114514 | 0 | None | 3 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
71454559 | 79234 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4ccsc4c3=O)CC21 | 10.1021/jm000541z | ||
CHEMBL2115086 | 79234 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4ccsc4c3=O)CC21 | 10.1021/jm000541z | ||
10692195 | 100140 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL291839 | 100140 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
11176459 | 101166 | 0 | None | 5 | 5 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 2.4 | N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
CHEMBL299022 | 101166 | 0 | None | 5 | 5 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 2.4 | N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
44294569 | 101549 | 0 | None | 5 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 447 | 7 | 1 | 8 | 2.5 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1 | 10.1021/jm981006q | ||
CHEMBL301726 | 101549 | 0 | None | 5 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 447 | 7 | 1 | 8 | 2.5 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1 | 10.1021/jm981006q | ||
11751173 | 63096 | 0 | None | -1 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
CHEMBL179743 | 63096 | 0 | None | -1 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
10095156 | 78134 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL2112073 | 78134 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
9908478 | 193963 | 0 | None | -6 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm0491391 | ||
CHEMBL556313 | 193963 | 0 | None | -6 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm0491391 | ||
6761 | 67457 | 17 | None | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
CHEMBL1909072 | 67457 | 17 | None | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
24897950 | 56058 | 0 | None | -3 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
CHEMBL1630940 | 56058 | 0 | None | -3 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
2419 | 688 | 22 | None | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
9 | 688 | 22 | None | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL13647 | 688 | 22 | None | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
10706270 | 120309 | 1 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | ||
CHEMBL1237159 | 120309 | 1 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | ||
CHEMBL355784 | 120309 | 1 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | ||
10527469 | 155724 | 1 | None | -2 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
CHEMBL40650 | 155724 | 1 | None | -2 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
49781234 | 17747 | 0 | None | -3 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccnn4C)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1259231 | 17747 | 0 | None | -3 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccnn4C)cc32)CC1 | 10.1021/jm100652h | ||
10632119 | 58805 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.3 | CCC(c1c[nH]cn1)c1cscc1C | 10.1021/jm0003891 | ||
CHEMBL169804 | 58805 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.3 | CCC(c1c[nH]cn1)c1cscc1C | 10.1021/jm0003891 | ||
CHEMBL1744287 | 58805 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.3 | CCC(c1c[nH]cn1)c1cscc1C | 10.1021/jm0003891 | ||
11857793 | 85223 | 0 | None | 6 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228445 | 85223 | 0 | None | 6 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
49782792 | 17729 | 0 | None | -2 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
CHEMBL1259174 | 17729 | 0 | None | -2 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
44431560 | 145045 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL391530 | 145045 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
90645599 | 111940 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 668 | 13 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298017 | 111940 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 668 | 13 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
49781450 | 17675 | 0 | None | -5 | 4 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cccnc4)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1259023 | 17675 | 0 | None | -5 | 4 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cccnc4)cc32)CC1 | 10.1021/jm100652h | ||
49781232 | 17742 | 0 | None | -6 | 5 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnn(C)n4)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1259216 | 17742 | 0 | None | -6 | 5 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnn(C)n4)cc32)CC1 | 10.1021/jm100652h | ||
10644505 | 100297 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4sccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL292881 | 100297 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4sccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
3584 | 3718 | 60 | None | -1 | 14 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | ||
5401 | 3718 | 60 | None | -1 | 14 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | ||
7302 | 3718 | 60 | None | -1 | 14 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | ||
155532835 | 175880 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.4 | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4467585 | 175880 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.4 | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4596417 | 175880 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.4 | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
10767626 | 154784 | 0 | None | 2 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL40310 | 154784 | 0 | None | 2 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.03.054 | ||
9 | 688 | 22 | None | -1 | 12 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.03.054 | ||
10928520 | 203882 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 453 | 7 | 1 | 7 | 3.3 | COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL81486 | 203882 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 453 | 7 | 1 | 7 | 3.3 | COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
10625617 | 161147 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 477 | 5 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(OC)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL41344 | 161147 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 477 | 5 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(OC)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
44247584 | 139391 | 6 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 1.8 | CS(=O)(=O)c1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799553 | 139391 | 6 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 1.8 | CS(=O)(=O)c1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
145947545 | 167133 | 0 | None | 199 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 341 | 4 | 2 | 4 | 3.1 | CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4208816 | 167133 | 0 | None | 199 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 341 | 4 | 2 | 4 | 3.1 | CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4302269 | 167133 | 0 | None | 199 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 341 | 4 | 2 | 4 | 3.1 | CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1016/j.ejmech.2017.07.071 | ||
9920786 | 59119 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 214 | 2 | 1 | 2 | 3.2 | c1ccc2sc(Cc3c[nH]cn3)cc2c1 | 10.1021/jm0003891 | ||
CHEMBL1203851 | 59119 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 214 | 2 | 1 | 2 | 3.2 | c1ccc2sc(Cc3c[nH]cn3)cc2c1 | 10.1021/jm0003891 | ||
CHEMBL171100 | 59119 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 214 | 2 | 1 | 2 | 3.2 | c1ccc2sc(Cc3c[nH]cn3)cc2c1 | 10.1021/jm0003891 | ||
10552656 | 160765 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | ||
CHEMBL41234 | 160765 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | ||
10743310 | 168666 | 0 | None | -3 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 2.4 | COc1cnc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | ||
CHEMBL441032 | 168666 | 0 | None | -3 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 2.4 | COc1cnc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | ||
11200086 | 194750 | 0 | None | 1 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 388 | 4 | 0 | 3 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL56292 | 194750 | 0 | None | 1 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 388 | 4 | 0 | 3 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
10717073 | 200938 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1 | 10.1021/jm000541z | ||
CHEMBL61225 | 200938 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1 | 10.1021/jm000541z | ||
10621309 | 201087 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(C)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL62110 | 201087 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(C)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
25131876 | 85765 | 0 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL2312227 | 85765 | 0 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | ||
25181488 | 186799 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | ||
CHEMBL493486 | 186799 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | ||
25131876 | 85765 | 0 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
CHEMBL2312227 | 85765 | 0 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
10740866 | 101625 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)cccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL302203 | 101625 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)cccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
90645595 | 111995 | 0 | None | 4 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 611 | 11 | 2 | 8 | 5.1 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298748 | 111995 | 0 | None | 4 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 611 | 11 | 2 | 8 | 5.1 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
3157 | 1442 | 69 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
7170 | 1442 | 69 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
954 | 1442 | 69 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
CHEMBL707 | 1442 | 69 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
DB00590 | 1442 | 69 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
499 | 4014 | 15 | None | -9 | 15 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
5685 | 4014 | 15 | None | -9 | 15 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
CHEMBL25554 | 4014 | 15 | None | -9 | 15 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
10503057 | 102148 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL304215 | 102148 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
16041629 | 95002 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL257097 | 95002 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
10946567 | 16292 | 0 | None | 12 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
CHEMBL123448 | 16292 | 0 | None | 12 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
4418 | 34000 | 80 | None | 1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
CHEMBL142635 | 34000 | 80 | None | 1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
14468881 | 175709 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 347 | 10 | 1 | 3 | 4.5 | c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4462600 | 175709 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 347 | 10 | 1 | 3 | 4.5 | c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4595111 | 175709 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 347 | 10 | 1 | 3 | 4.5 | c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
52948823 | 16876 | 0 | None | 2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 421 | 13 | 1 | 5 | 4.9 | COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1254659 | 16876 | 0 | None | 2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 421 | 13 | 1 | 5 | 4.9 | COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
9822942 | 196260 | 0 | None | 35 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.7 | CCC1(C)CC(=O)N(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)C1 | 10.1021/jm030944+ | ||
CHEMBL57317 | 196260 | 0 | None | 35 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.7 | CCC1(C)CC(=O)N(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)C1 | 10.1021/jm030944+ | ||
9865801 | 94286 | 6 | None | -3 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 5.0 | COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C | 10.1021/jm960697s | ||
CHEMBL25300 | 94286 | 6 | None | -3 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 5.0 | COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C | 10.1021/jm960697s | ||
10071710 | 83717 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL220781 | 83717 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
10071710 | 83717 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
CHEMBL220781 | 83717 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
11638677 | 84166 | 0 | None | -50 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
CHEMBL2153423 | 84166 | 0 | None | -50 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
CHEMBL2220978 | 84166 | 0 | None | -50 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm021078o | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm021078o | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm021078o | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2010.05.023 | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2010.05.023 | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2019.02.056 | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2019.02.056 | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2010.01.030 | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2010.01.030 | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm800461k | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm800461k | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm800461k | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm200421e | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm200421e | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm200421e | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm301525w | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm301525w | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm301525w | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2016.09.050 | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2016.09.050 | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2016.09.050 | ||
9845181 | 206420 | 1 | None | 1 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0491391 | ||
CHEMBL98241 | 206420 | 1 | None | 1 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0491391 | ||
9845181 | 206420 | 1 | None | 1 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL98241 | 206420 | 1 | None | 1 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1016/s0960-894x(01)00159-7 | ||
10506361 | 157163 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 492 | 5 | 1 | 8 | 3.5 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc([N+](=O)[O-])cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL40819 | 157163 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 492 | 5 | 1 | 8 | 3.5 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc([N+](=O)[O-])cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
134147055 | 149042 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.8 | COc1cccc(CCN2CCN(c3ccccc3OC(C)C)CC2)c1 | 10.1016/j.ejmech.2016.06.052 | ||
CHEMBL3946843 | 149042 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.8 | COc1cccc(CCN2CCN(c3ccccc3OC(C)C)CC2)c1 | 10.1016/j.ejmech.2016.06.052 | ||
11800077 | 100046 | 0 | None | -2 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(Cl)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL291154 | 100046 | 0 | None | -2 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(Cl)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
11474937 | 195498 | 0 | None | -1 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 395 | 5 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm030944+ | ||
CHEMBL56804 | 195498 | 0 | None | -1 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 395 | 5 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm030944+ | ||
134139869 | 145667 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 384 | 8 | 0 | 5 | 3.9 | COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1OC | 10.1016/j.ejmech.2016.06.052 | ||
CHEMBL3920110 | 145667 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 384 | 8 | 0 | 5 | 3.9 | COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1OC | 10.1016/j.ejmech.2016.06.052 | ||
78815633 | 146983 | 2 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 340 | 7 | 0 | 4 | 3.5 | CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
CHEMBL3930616 | 146983 | 2 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 340 | 7 | 0 | 4 | 3.5 | CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
10678161 | 100348 | 0 | None | 1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 455 | 5 | 1 | 8 | 2.2 | COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | ||
CHEMBL293236 | 100348 | 0 | None | 1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 455 | 5 | 1 | 8 | 2.2 | COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | ||
11486511 | 101113 | 0 | None | -4 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL298595 | 101113 | 0 | None | -4 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
4209 | 3114 | 71 | None | -4 | 33 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
4893 | 3114 | 71 | None | -4 | 33 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
503 | 3114 | 71 | None | -4 | 33 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
5385 | 3114 | 71 | None | -4 | 33 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
CHEMBL2 | 3114 | 71 | None | -4 | 33 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
DB00457 | 3114 | 71 | None | -4 | 33 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
46934793 | 16451 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1241557 | 16451 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
25181488 | 186799 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
CHEMBL493486 | 186799 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
44431553 | 87156 | 0 | None | 10 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL233592 | 87156 | 0 | None | 10 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
10456471 | 100067 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
CHEMBL291303 | 100067 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
9845181 | 206420 | 1 | None | -1 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm020938y | ||
CHEMBL98241 | 206420 | 1 | None | -1 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm020938y | ||
49781236 | 17661 | 0 | None | -7 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cnn(C)c4)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1258987 | 17661 | 0 | None | -7 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cnn(C)c4)cc32)CC1 | 10.1021/jm100652h | ||
10648335 | 99699 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL287928 | 99699 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
9822705 | 100221 | 0 | None | 11 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 407 | 4 | 0 | 3 | 4.4 | O=C1CC2(C=CN1CCN1CCN(c3cc(Cl)ccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | ||
CHEMBL292366 | 100221 | 0 | None | 11 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 407 | 4 | 0 | 3 | 4.4 | O=C1CC2(C=CN1CCN1CCN(c3cc(Cl)ccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm991065j | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm991065j | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm991065j | ||
10606661 | 100472 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 441 | 5 | 1 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL294027 | 100472 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 441 | 5 | 1 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
46934637 | 16492 | 0 | None | 3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1242542 | 16492 | 0 | None | 3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
44431611 | 87057 | 0 | None | 7 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL233410 | 87057 | 0 | None | 7 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
10624165 | 100096 | 0 | None | -3 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C(C)C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL291528 | 100096 | 0 | None | -3 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C(C)C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
9845172 | 168543 | 0 | None | 25 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 422 | 4 | 0 | 3 | 4.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL440118 | 168543 | 0 | None | 25 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 422 | 4 | 0 | 3 | 4.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
145946536 | 167023 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4213029 | 167023 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4300721 | 167023 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
16041264 | 94999 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL257077 | 94999 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
44431192 | 92127 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccnc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
CHEMBL243228 | 92127 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccnc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
49782791 | 17728 | 0 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
CHEMBL1259173 | 17728 | 0 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
10095044 | 101834 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 445 | 6 | 0 | 8 | 3.2 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 | 10.1021/jm0307741 | ||
CHEMBL303464 | 101834 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 445 | 6 | 0 | 8 | 3.2 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 | 10.1021/jm0307741 | ||
148842 | 3883 | 21 | None | -8 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | ||
496 | 3883 | 21 | None | -8 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | ||
CHEMBL278865 | 3883 | 21 | None | -8 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | ||
44428849 | 143097 | 0 | None | 2 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 436 | 4 | 2 | 7 | 2.8 | COc1cc2nc(N3CCN(C(=O)c4ccc[nH]4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL389978 | 143097 | 0 | None | 2 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 436 | 4 | 2 | 7 | 2.8 | COc1cc2nc(N3CCN(C(=O)c4ccc[nH]4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
71659980 | 145360 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 6 | 0 | 5 | 3.2 | CCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
CHEMBL3917716 | 145360 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 6 | 0 | 5 | 3.2 | CCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
44420408 | 141226 | 0 | None | 5 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 2.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
CHEMBL386005 | 141226 | 0 | None | 5 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 2.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
76330229 | 105754 | 0 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL2261605 | 105754 | 0 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL3138857 | 105754 | 0 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
44428845 | 141830 | 0 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL388884 | 141830 | 0 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
10767981 | 194588 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 509 | 11 | 1 | 9 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)C3COc4ccccc4O3)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
CHEMBL561851 | 194588 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 509 | 11 | 1 | 9 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)C3COc4ccccc4O3)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
CHEMBL4753450 | 212295 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@@H](c1cccc(CN)c1)n1cc(Cl)cc(C(N)=O)c1=N | nan | ||||
CHEMBL4802854 | 212295 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@@H](c1cccc(CN)c1)n1cc(Cl)cc(C(N)=O)c1=N | nan | ||||
102 | 4064 | 44 | None | -363 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
3659 | 4064 | 44 | None | -363 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
8969 | 4064 | 44 | None | -363 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
CHEMBL15245 | 4064 | 44 | None | -363 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
DB01392 | 4064 | 44 | None | -363 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0491391 | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0491391 | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0491391 | ||
11857864 | 85257 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228659 | 85257 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
11857792 | 168803 | 0 | None | 3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL442059 | 168803 | 0 | None | 3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
11384983 | 195626 | 0 | None | -1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 433 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1 | 10.1021/jm030944+ | ||
CHEMBL56869 | 195626 | 0 | None | -1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 433 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1 | 10.1021/jm030944+ | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | ||
44470113 | 139348 | 3 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799292 | 139348 | 3 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
16041092 | 94936 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL256804 | 94936 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
126225 | 94535 | 4 | None | 1 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm0307741 | ||
CHEMBL25467 | 94535 | 4 | None | 1 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm0307741 | ||
9845181 | 206420 | 1 | None | 1 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0307741 | ||
CHEMBL98241 | 206420 | 1 | None | 1 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0307741 | ||
126225 | 94535 | 4 | None | 1 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
CHEMBL25467 | 94535 | 4 | None | 1 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
90645601 | 111942 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 564 | 10 | 2 | 9 | 3.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)C)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298019 | 111942 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 564 | 10 | 2 | 9 | 3.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)C)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
3157 | 1442 | 69 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
7170 | 1442 | 69 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
954 | 1442 | 69 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
CHEMBL707 | 1442 | 69 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
DB00590 | 1442 | 69 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
10643502 | 100482 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 1.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4[nH]ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL294098 | 100482 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 1.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4[nH]ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
11857638 | 143278 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL390129 | 143278 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
11487449 | 193817 | 0 | None | 1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 437 | 5 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL55319 | 193817 | 0 | None | 1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 437 | 5 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
155532148 | 171135 | 0 | None | 1 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CC2COCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL4466677 | 171135 | 0 | None | 1 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CC2COCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2019.02.056 | ||
134149596 | 147933 | 0 | None | -4 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 368 | 6 | 0 | 5 | 3.6 | CC(C)Oc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
CHEMBL3938038 | 147933 | 0 | None | -4 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 368 | 6 | 0 | 5 | 3.6 | CC(C)Oc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
10691912 | 167457 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cnccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL432147 | 167457 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cnccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
9931327 | 69467 | 1 | None | 12 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 2.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1 | 10.1021/jm0491391 | ||
CHEMBL193620 | 69467 | 1 | None | 12 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 2.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1 | 10.1021/jm0491391 | ||
49781235 | 17748 | 0 | None | -7 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccn(C)n4)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1259232 | 17748 | 0 | None | -7 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccn(C)n4)cc32)CC1 | 10.1021/jm100652h | ||
71817386 | 102113 | 0 | None | -3 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL2419769 | 102113 | 0 | None | -3 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL3040851 | 102113 | 0 | None | -3 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
2726 | 906 | 64 | None | 1 | 72 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 906 | 64 | None | 1 | 72 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 906 | 64 | None | 1 | 72 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 906 | 64 | None | 1 | 72 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 906 | 64 | None | 1 | 72 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
10620533 | 200179 | 0 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ncccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL60722 | 200179 | 0 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ncccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
4151 | 3550 | 85 | None | -16 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | ||
493 | 3550 | 85 | None | -16 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | ||
5312125 | 3550 | 85 | None | -16 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | ||
CHEMBL24778 | 3550 | 85 | None | -16 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | ||
DB06207 | 3550 | 85 | None | -16 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | ||
11705133 | 71986 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC | 10.1021/jm0580398 | ||
CHEMBL198431 | 71986 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC | 10.1021/jm0580398 | ||
44298664 | 195610 | 0 | None | -31 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 462 | 7 | 1 | 6 | 2.8 | O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL56863 | 195610 | 0 | None | -31 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 462 | 7 | 1 | 6 | 2.8 | O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
10674055 | 202515 | 0 | None | -50 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.9 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL70892 | 202515 | 0 | None | -50 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.9 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
489 | 145 | 22 | None | -22 | 13 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm960697s | ||
5640 | 145 | 22 | None | -22 | 13 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm960697s | ||
CHEMBL420060 | 145 | 22 | None | -22 | 13 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm960697s | ||
25025052 | 139251 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 286 | 3 | 2 | 4 | 1.6 | N#Cc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3798655 | 139251 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 286 | 3 | 2 | 4 | 1.6 | N#Cc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | ||
155533100 | 175770 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 377 | 11 | 1 | 4 | 4.5 | COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4468507 | 175770 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 377 | 11 | 1 | 4 | 4.5 | COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4595564 | 175770 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 377 | 11 | 1 | 4 | 4.5 | COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
44298770 | 101140 | 0 | None | -10 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 464 | 7 | 1 | 6 | 2.5 | O=c1[nH]cc(Cl)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL298838 | 101140 | 0 | None | -10 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 464 | 7 | 1 | 6 | 2.5 | O=c1[nH]cc(Cl)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
9929936 | 167349 | 0 | None | 9 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | ||
CHEMBL431354 | 167349 | 0 | None | 9 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | ||
6603808 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL214986 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL36622 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL3740374 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
6603808 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL214986 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL36622 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL3740374 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
6603808 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
CHEMBL214986 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
CHEMBL36622 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
CHEMBL3740374 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
6603808 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
CHEMBL214986 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
CHEMBL36622 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
CHEMBL3740374 | 127000 | 2 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
118716714 | 114510 | 0 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 501 | 6 | 0 | 7 | 2.7 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342867 | 114510 | 0 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 501 | 6 | 0 | 7 | 2.7 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
118716707 | 114503 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 519 | 5 | 0 | 6 | 3.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342860 | 114503 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 519 | 5 | 0 | 6 | 3.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
487 | 3577 | 17 | None | -239 | 12 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
60602 | 3577 | 17 | None | -239 | 12 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
CHEMBL405355 | 3577 | 17 | None | -239 | 12 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
DB09239 | 3577 | 17 | None | -239 | 12 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
463 | 1378 | 17 | None | -50 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
6918097 | 1378 | 17 | None | -50 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
837 | 1378 | 17 | None | -50 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
CHEMBL2051956 | 1378 | 17 | None | -50 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
DB14068 | 1378 | 17 | None | -50 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
497 | 3313 | 6 | None | -61 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1021/jm960697s | ||
9872515 | 3313 | 6 | None | -61 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1021/jm960697s | ||
CHEMBL24777 | 3313 | 6 | None | -61 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1021/jm960697s | ||
134138438 | 146810 | 0 | None | -33 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 378 | 4 | 0 | 5 | 4.3 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
CHEMBL3929328 | 146810 | 0 | None | -33 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 378 | 4 | 0 | 5 | 4.3 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
10393665 | 33700 | 0 | None | -151 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
CHEMBL142383 | 33700 | 0 | None | -151 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
11338630 | 9566 | 0 | None | 2 | 3 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 403 | 4 | 2 | 3 | 4.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)c1ccc2ccccc2c1 | 10.1021/jm030551a | ||
CHEMBL112814 | 9566 | 0 | None | 2 | 3 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 403 | 4 | 2 | 3 | 4.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)c1ccc2ccccc2c1 | 10.1021/jm030551a | ||
44298762 | 100162 | 0 | None | -15 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 473 | 8 | 1 | 7 | 1.9 | CN(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL291951 | 100162 | 0 | None | -15 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 473 | 8 | 1 | 7 | 1.9 | CN(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
9903797 | 9348 | 5 | None | -18 | 4 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | ||
CHEMBL111734 | 9348 | 5 | None | -18 | 4 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | ||
153287553 | 170538 | 0 | None | -158 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4457754 | 170538 | 0 | None | -158 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
10236758 | 115272 | 3 | None | -1023 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
CHEMBL3354065 | 115272 | 3 | None | -1023 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
10703393 | 119751 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 204 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C1(c2c[nH]cn2)CC1 | 10.1021/jm0003891 | ||
CHEMBL1744265 | 119751 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 204 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C1(c2c[nH]cn2)CC1 | 10.1021/jm0003891 | ||
CHEMBL352374 | 119751 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 204 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C1(c2c[nH]cn2)CC1 | 10.1021/jm0003891 | ||
11736917 | 9187 | 2 | None | -1 | 2 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 254 | 4 | 2 | 3 | 1.5 | CCS(=O)(=O)Nc1cccc(C2CCNC2)c1 | 10.1021/jm030551a | ||
CHEMBL110859 | 9187 | 2 | None | -1 | 2 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 254 | 4 | 2 | 3 | 1.5 | CCS(=O)(=O)Nc1cccc(C2CCNC2)c1 | 10.1021/jm030551a | ||
9903797 | 9348 | 5 | None | -18 | 4 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1021/jm030551a | ||
CHEMBL111734 | 9348 | 5 | None | -18 | 4 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1021/jm030551a | ||
44267912 | 16703 | 0 | None | -102 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 1.3 | COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
CHEMBL12501 | 16703 | 0 | None | -102 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 1.3 | COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
237 | 203157 | 43 | None | -1 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL546257 | 203157 | 43 | None | -1 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL554190 | 203157 | 43 | None | -1 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL7568 | 203157 | 43 | None | -1 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
19085836 | 203952 | 0 | None | -6 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL82056 | 203952 | 0 | None | -6 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12 | 10.1016/s0960-894x(98)00446-6 | ||
145951457 | 162374 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
CHEMBL4174168 | 162374 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
44568917 | 186772 | 0 | None | -13 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | ||
CHEMBL493283 | 186772 | 0 | None | -13 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | ||
6604803 | 116018 | 2 | None | -457 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
CHEMBL336161 | 116018 | 2 | None | -457 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
145962817 | 160972 | 0 | None | -34 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4128311 | 160972 | 0 | None | -34 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
9809007 | 171996 | 6 | None | -407 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
CHEMBL448620 | 171996 | 6 | None | -407 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
9796525 | 9317 | 0 | None | -7 | 3 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1021/jm030551a | ||
CHEMBL111584 | 9317 | 0 | None | -7 | 3 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1021/jm030551a | ||
10047430 | 104282 | 0 | None | -117 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
CHEMBL310768 | 104282 | 0 | None | -117 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
11098175 | 202469 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
CHEMBL70691 | 202469 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
76326541 | 84917 | 0 | None | -60 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
CHEMBL2261355 | 84917 | 0 | None | -60 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
9926529 | 9299 | 2 | None | -19 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL111496 | 9299 | 2 | None | -19 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
44267884 | 15391 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 8 | 0 | 6 | 2.2 | CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
CHEMBL12202 | 15391 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 8 | 0 | 6 | 2.2 | CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
44431599 | 87592 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234423 | 87592 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | ||
17753379 | 87635 | 0 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234607 | 87635 | 0 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
2142 | 3047 | 54 | None | -5 | 36 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
4920903 | 3047 | 54 | None | -5 | 36 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
502 | 3047 | 54 | None | -5 | 36 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
5775 | 3047 | 54 | None | -5 | 36 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
CHEMBL597 | 3047 | 54 | None | -5 | 36 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
DB00692 | 3047 | 54 | None | -5 | 36 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
59151671 | 139313 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.3 | N#Cc1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799115 | 139313 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.3 | N#Cc1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl | 10.1021/acs.jmedchem.5b01528 | ||
44300170 | 167697 | 0 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL433832 | 167697 | 0 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
11108001 | 10771 | 2 | None | 3 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL117248 | 10771 | 2 | None | 3 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL540542 | 10771 | 2 | None | 3 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
9976756 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | ||
CHEMBL1083181 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | ||
CHEMBL37883 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | ||
9976756 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL1083181 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL37883 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
9976756 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL1083181 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL37883 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | ||
9976756 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | ||
CHEMBL1083181 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | ||
CHEMBL37883 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | ||
9976756 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
CHEMBL1083181 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
CHEMBL37883 | 6529 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
44289525 | 165442 | 0 | None | -12 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1021/jm960069a | ||
CHEMBL42539 | 165442 | 0 | None | -12 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1021/jm960069a | ||
10916771 | 104735 | 0 | None | -53 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL311479 | 104735 | 0 | None | -53 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
11144555 | 203527 | 0 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 433 | 8 | 1 | 7 | 3.1 | COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL78785 | 203527 | 0 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 433 | 8 | 1 | 7 | 3.1 | COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
10743042 | 187569 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 471 | 5 | 1 | 8 | 3.1 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O | 10.1021/jm981006q | ||
CHEMBL49851 | 187569 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 471 | 5 | 1 | 8 | 3.1 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O | 10.1021/jm981006q | ||
1443 | 1997 | 30 | None | -14 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
33625 | 1997 | 30 | None | -14 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
501 | 1997 | 30 | None | -14 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
CHEMBL279516 | 1997 | 30 | None | -14 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
DB08950 | 1997 | 30 | None | -14 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
10841070 | 37446 | 0 | None | -380 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL145746 | 37446 | 0 | None | -380 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
10817365 | 36483 | 0 | None | -1819 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL144933 | 36483 | 0 | None | -1819 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
44299764 | 100262 | 0 | None | 4 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 426 | 8 | 0 | 4 | 4.4 | CN(CCCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
CHEMBL292672 | 100262 | 0 | None | 4 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 426 | 8 | 0 | 4 | 4.4 | CN(CCCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
11453476 | 167350 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 439 | 8 | 0 | 4 | 4.5 | CN(CCCN(C)c1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
CHEMBL431357 | 167350 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 439 | 8 | 0 | 4 | 4.5 | CN(CCCN(C)c1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
10507411 | 33960 | 0 | None | -1000 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 577 | 9 | 0 | 5 | 7.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3C(F)(F)F)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL142606 | 33960 | 0 | None | -1000 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 577 | 9 | 0 | 5 | 7.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3C(F)(F)F)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
10506484 | 36567 | 0 | None | -1096 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 534 | 9 | 0 | 6 | 5.9 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL145001 | 36567 | 0 | None | -1096 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 534 | 9 | 0 | 6 | 5.9 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
10578548 | 36781 | 0 | None | -912 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL145178 | 36781 | 0 | None | -912 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
118718431 | 114855 | 0 | None | -11 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
CHEMBL3349545 | 114855 | 0 | None | -11 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
44295044 | 101109 | 0 | None | -190 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 535 | 6 | 2 | 6 | 3.5 | N#CC1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
CHEMBL298579 | 101109 | 0 | None | -190 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 535 | 6 | 2 | 6 | 3.5 | N#CC1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
10841851 | 34092 | 0 | None | -851 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 569 | 9 | 4 | 6 | 2.2 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
CHEMBL142718 | 34092 | 0 | None | -851 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 569 | 9 | 4 | 6 | 2.2 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
44288815 | 100984 | 0 | None | -147 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 431 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)C(C)C)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL297667 | 100984 | 0 | None | -147 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 431 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)C(C)C)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
9982585 | 101046 | 0 | None | -851 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 479 | 8 | 1 | 3 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL298058 | 101046 | 0 | None | -851 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 479 | 8 | 1 | 3 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL41844 | 162681 | 0 | None | -309 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 590 | 10 | 2 | 9 | 4.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
44460522 | 203676 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 460 | 7 | 0 | 7 | 3.6 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
CHEMBL79990 | 203676 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 460 | 7 | 0 | 7 | 3.6 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
44431557 | 146139 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL392377 | 146139 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
9850782 | 103124 | 0 | None | -72 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL308671 | 103124 | 0 | None | -72 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
127036953 | 136990 | 0 | None | -112 | 22 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
CHEMBL3754166 | 136990 | 0 | None | -112 | 22 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
10651080 | 105462 | 0 | None | -131 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL312871 | 105462 | 0 | None | -131 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
10531532 | 205365 | 0 | None | -131 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL91956 | 205365 | 0 | None | -131 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
11164948 | 37510 | 0 | None | -3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 3.1 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | ||
CHEMBL145793 | 37510 | 0 | None | -3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 3.1 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | ||
9814617 | 9244 | 0 | None | -2 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.7 | CS(=O)(=O)Nc1cccc2c1OCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL111151 | 9244 | 0 | None | -2 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.7 | CS(=O)(=O)Nc1cccc2c1OCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
9847419 | 206453 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 5 | 2 | 5 | 3.9 | Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL98430 | 206453 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 5 | 2 | 5 | 3.9 | Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | ||
10020855 | 78413 | 0 | None | -588 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.9 | COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1 | 10.1021/jm010866v | ||
CHEMBL2112778 | 78413 | 0 | None | -588 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.9 | COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1 | 10.1021/jm010866v | ||
17753379 | 87375 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL233816 | 87375 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
44431616 | 87649 | 0 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234650 | 87649 | 0 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
11857863 | 85251 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228608 | 85251 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
145947141 | 167065 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 371 | 5 | 1 | 4 | 3.0 | O=S1(=O)CCC(NCCOc2cc(F)ccc2F)c2cc(F)ccc21 | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4218841 | 167065 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 371 | 5 | 1 | 4 | 3.0 | O=S1(=O)CCC(NCCOc2cc(F)ccc2F)c2cc(F)ccc21 | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4301452 | 167065 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 371 | 5 | 1 | 4 | 3.0 | O=S1(=O)CCC(NCCOc2cc(F)ccc2F)c2cc(F)ccc21 | 10.1016/j.ejmech.2017.07.071 | ||
18738387 | 162946 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL420184 | 162946 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
10699164 | 36797 | 0 | None | -151 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL145190 | 36797 | 0 | None | -151 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
10776978 | 59155 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 248 | 4 | 1 | 2 | 4.3 | CC(C)c1cc(Cc2c[nH]cn2)c(C(C)C)s1 | 10.1021/jm0003891 | ||
CHEMBL171323 | 59155 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 248 | 4 | 1 | 2 | 4.3 | CC(C)c1cc(Cc2c[nH]cn2)c(C(C)C)s1 | 10.1021/jm0003891 | ||
CHEMBL1744274 | 59155 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 248 | 4 | 1 | 2 | 4.3 | CC(C)c1cc(Cc2c[nH]cn2)c(C(C)C)s1 | 10.1021/jm0003891 | ||
118716713 | 114509 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 487 | 6 | 0 | 7 | 2.4 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342866 | 114509 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 487 | 6 | 0 | 7 | 2.4 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
11046644 | 30488 | 0 | None | -33 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 361 | 6 | 0 | 4 | 4.0 | COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12 | 10.1021/jm010866v | ||
CHEMBL139505 | 30488 | 0 | None | -33 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 361 | 6 | 0 | 4 | 4.0 | COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12 | 10.1021/jm010866v | ||
3567002 | 3335 | 5 | None | -58 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/s0960-894x(03)00305-6 | ||
7381 | 3335 | 5 | None | -58 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL56331 | 3335 | 5 | None | -58 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/s0960-894x(03)00305-6 | ||
44358574 | 118864 | 0 | None | -54 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.0 | COc1cccc2c1CCCC2CCCNCCOc1ccccn1 | 10.1021/jm010866v | ||
CHEMBL344432 | 118864 | 0 | None | -54 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.0 | COc1cccc2c1CCCC2CCCNCCOc1ccccn1 | 10.1021/jm010866v | ||
11430182 | 197001 | 0 | None | -3 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL57999 | 197001 | 0 | None | -3 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2Cl)CC1 | 10.1021/jm030944+ | ||
71817549 | 102107 | 0 | None | -15 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
CHEMBL3040803 | 102107 | 0 | None | -15 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
CHEMBL3216590 | 102107 | 0 | None | -15 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
10721171 | 37477 | 0 | None | -398 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 539 | 10 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL145770 | 37477 | 0 | None | -398 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 539 | 10 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
10815240 | 205125 | 0 | None | -851 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1 | 10.1021/jm990612y | ||
CHEMBL90606 | 205125 | 0 | None | -851 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1 | 10.1021/jm990612y | ||
10579632 | 35357 | 0 | None | -23 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 611 | 9 | 2 | 7 | 5.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
CHEMBL143940 | 35357 | 0 | None | -23 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 611 | 9 | 2 | 7 | 5.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
10627329 | 37210 | 0 | None | -24 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 595 | 7 | 2 | 6 | 4.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL145525 | 37210 | 0 | None | -24 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 595 | 7 | 2 | 6 | 4.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
10508330 | 118289 | 0 | None | -602 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 638 | 8 | 2 | 5 | 5.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL342126 | 118289 | 0 | None | -602 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 638 | 8 | 2 | 5 | 5.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
10792536 | 205049 | 0 | None | -63 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 540 | 7 | 3 | 3 | 4.7 | O=C1NC(C(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
CHEMBL90184 | 205049 | 0 | None | -63 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 540 | 7 | 3 | 3 | 4.7 | O=C1NC(C(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
11747739 | 13124 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1191324 | 13124 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL542402 | 13124 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
9830741 | 206120 | 1 | None | -660 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | ||
CHEMBL96467 | 206120 | 1 | None | -660 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | ||
9830741 | 206120 | 1 | None | -660 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
CHEMBL96467 | 206120 | 1 | None | -660 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
134143085 | 145317 | 0 | None | -79 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 6 | 1 | 4 | 4.2 | c1ccc(OCCNCC2CSC3(CCCCC3)S2)cc1 | 10.1016/j.ejmech.2016.09.050 | ||
CHEMBL3917316 | 145317 | 0 | None | -79 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 6 | 1 | 4 | 4.2 | c1ccc(OCCNCC2CSC3(CCCCC3)S2)cc1 | 10.1016/j.ejmech.2016.09.050 | ||
10198248 | 186866 | 35 | None | -56 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL49395 | 186866 | 35 | None | -56 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
10626910 | 202087 | 0 | None | -537 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
CHEMBL68203 | 202087 | 0 | None | -537 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
10769331 | 111045 | 0 | None | -239 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | ||
CHEMBL327931 | 111045 | 0 | None | -239 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | ||
155531279 | 171067 | 0 | None | -6 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@H]1OCCO[C@H]1c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL4465749 | 171067 | 0 | None | -6 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@H]1OCCO[C@H]1c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | ||
44568818 | 187122 | 0 | None | -3 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 | 10.1021/jm800461k | ||
CHEMBL495289 | 187122 | 0 | None | -3 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 | 10.1021/jm800461k | ||
44298644 | 162577 | 0 | None | -31 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 7 | 1 | 6 | 2.6 | Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL417758 | 162577 | 0 | None | -31 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 7 | 1 | 6 | 2.6 | Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
44298780 | 194873 | 0 | None | -25 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 478 | 7 | 3 | 7 | 0.9 | C[C@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@H]1O | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL56375 | 194873 | 0 | None | -25 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 478 | 7 | 3 | 7 | 0.9 | C[C@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@H]1O | 10.1016/s0960-894x(03)00305-6 | ||
11325675 | 157012 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 353 | 4 | 0 | 4 | 2.0 | O=C1C=CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL408034 | 157012 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 353 | 4 | 0 | 4 | 2.0 | O=C1C=CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
9944409 | 7532 | 0 | None | -34 | 5 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
CHEMBL108804 | 7532 | 0 | None | -34 | 5 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
9944409 | 7532 | 0 | None | -34 | 5 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL108804 | 7532 | 0 | None | -34 | 5 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
123981 | 16282 | 20 | None | -69 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
CHEMBL123349 | 16282 | 20 | None | -69 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
CHEMBL536803 | 16282 | 20 | None | -69 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
126720252 | 164123 | 0 | None | -44 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
CHEMBL4216870 | 164123 | 0 | None | -44 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
44289344 | 167981 | 0 | None | -10 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 4.8 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL435576 | 167981 | 0 | None | -10 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 4.8 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
10415156 | 120625 | 0 | None | -1819 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 550 | 8 | 3 | 5 | 3.8 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL357628 | 120625 | 0 | None | -1819 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 550 | 8 | 3 | 5 | 3.8 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
57469 | 18678 | 120 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | ||
CHEMBL1282 | 18678 | 120 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | ||
136680384 | 205921 | 0 | None | -288 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
44328799 | 205921 | 0 | None | -288 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL95290 | 205921 | 0 | None | -288 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
44426404 | 142034 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL389104 | 142034 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | ||
44308443 | 202255 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL69339 | 202255 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
49781681 | 17704 | 0 | None | -7 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 2 | 0 | 3 | 6.3 | Cc1cc(C)c(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 | 10.1021/jm100652h | ||
CHEMBL1259098 | 17704 | 0 | None | -7 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 2 | 0 | 3 | 6.3 | Cc1cc(C)c(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 | 10.1021/jm100652h | ||
145963755 | 161485 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
CHEMBL4160032 | 161485 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
118716721 | 114517 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342874 | 114517 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
52942047 | 16486 | 0 | None | -9 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1242444 | 16486 | 0 | None | -9 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
44420412 | 84372 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 470 | 5 | 1 | 7 | 3.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
CHEMBL223289 | 84372 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 470 | 5 | 1 | 7 | 3.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
127046693 | 139137 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | nan | ||
CHEMBL3797887 | 139137 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | nan | ||
CHEMBL4762646 | 139137 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | nan | ||
213 | 3792 | 50 | None | -2 | 43 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
2717 | 3792 | 50 | None | -2 | 43 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
5533 | 3792 | 50 | None | -2 | 43 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
CHEMBL621 | 3792 | 50 | None | -2 | 43 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
DB00656 | 3792 | 50 | None | -2 | 43 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
127046693 | 139137 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3797887 | 139137 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL4762646 | 139137 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
44308654 | 201890 | 0 | None | 3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 6 | 1 | 6 | 3.4 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL66823 | 201890 | 0 | None | 3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 6 | 1 | 6 | 3.4 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
9959689 | 101343 | 0 | None | -281 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
CHEMBL300222 | 101343 | 0 | None | -281 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
44295133 | 188142 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 586 | 7 | 2 | 5 | 5.0 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCC(c3ccccc3)(c3ccccc3)CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | ||
CHEMBL50490 | 188142 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 586 | 7 | 2 | 5 | 5.0 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCC(c3ccccc3)(c3ccccc3)CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | ||
44295170 | 101352 | 0 | None | -20 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
CHEMBL300272 | 101352 | 0 | None | -20 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
44288792 | 99852 | 0 | None | -199 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 451 | 8 | 1 | 3 | 5.5 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(Cl)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL289339 | 99852 | 0 | None | -199 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 451 | 8 | 1 | 3 | 5.5 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(Cl)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
44289089 | 164033 | 0 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.2 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL42156 | 164033 | 0 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.2 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
5624 | 32474 | 12 | None | -39 | 10 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
CHEMBL1203324 | 32474 | 12 | None | -39 | 10 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
CHEMBL141343 | 32474 | 12 | None | -39 | 10 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
127036932 | 136824 | 0 | None | -43 | 22 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
CHEMBL3752900 | 136824 | 0 | None | -43 | 22 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
53328115 | 63053 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 407 | 6 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796028 | 63053 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 407 | 6 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
136 | 3240 | 28 | None | -144 | 16 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
223 | 3240 | 28 | None | -144 | 16 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
643606 | 3240 | 28 | None | -144 | 16 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
CHEMBL10347 | 3240 | 28 | None | -144 | 16 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
9830741 | 206120 | 1 | None | -660 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | ||
CHEMBL96467 | 206120 | 1 | None | -660 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | ||
4543 | 169982 | 36 | None | -4 | 29 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL1201156 | 169982 | 36 | None | -4 | 29 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL445 | 169982 | 36 | None | -4 | 29 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
124 | 2933 | 44 | None | -380 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
2032 | 2933 | 44 | None | -380 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
4636 | 2933 | 44 | None | -380 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
CHEMBL762 | 2933 | 44 | None | -380 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
DB00935 | 2933 | 44 | None | -380 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
4038180 | 202 | 11 | None | -141 | 6 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
480 | 202 | 11 | None | -141 | 6 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
CHEMBL109783 | 202 | 11 | None | -141 | 6 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
71817857 | 91693 | 0 | None | -3 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL2419766 | 91693 | 0 | None | -3 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
19085869 | 167562 | 0 | None | -112 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL432947 | 167562 | 0 | None | -112 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | ||
44331090 | 206652 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 464 | 5 | 1 | 5 | 4.3 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3cccc4ccccc34)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL99614 | 206652 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 464 | 5 | 1 | 5 | 4.3 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3cccc4ccccc34)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | ||
10602912 | 102265 | 0 | None | -301 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 2.9 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL304977 | 102265 | 0 | None | -301 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 2.9 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
10674133 | 162868 | 0 | None | -32 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 546 | 9 | 2 | 7 | 2.9 | CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL419624 | 162868 | 0 | None | -32 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 546 | 9 | 2 | 7 | 2.9 | CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
10032383 | 109621 | 0 | None | -812 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
136680387 | 109621 | 0 | None | -812 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL323579 | 109621 | 0 | None | -812 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
12134995 | 101672 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 5 | 1 | 5 | 2.6 | COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL302495 | 101672 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 5 | 1 | 5 | 2.6 | COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
10903226 | 13658 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1195368 | 13658 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL554416 | 13658 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
124 | 2933 | 44 | None | -380 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
2032 | 2933 | 44 | None | -380 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
4636 | 2933 | 44 | None | -380 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
CHEMBL762 | 2933 | 44 | None | -380 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
DB00935 | 2933 | 44 | None | -380 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
11211017 | 196557 | 0 | None | 1 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/jm0491391 | ||
CHEMBL57546 | 196557 | 0 | None | 1 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/jm0491391 | ||
44431590 | 87551 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234231 | 87551 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
10531 | 1392 | 18 | None | -28 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
121 | 1392 | 18 | None | -28 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
888 | 1392 | 18 | None | -28 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
CHEMBL1732 | 1392 | 18 | None | -28 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
DB00320 | 1392 | 18 | None | -28 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
10650726 | 33536 | 0 | None | -141 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 571 | 9 | 2 | 7 | 3.8 | CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990202+ | ||
CHEMBL142251 | 33536 | 0 | None | -141 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 571 | 9 | 2 | 7 | 3.8 | CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990202+ | ||
10626726 | 33722 | 0 | None | -70 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL142398 | 33722 | 0 | None | -70 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
46934639 | 16491 | 0 | None | -16 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1242541 | 16491 | 0 | None | -16 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
52947088 | 16929 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 391 | 11 | 1 | 4 | 4.9 | Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1255003 | 16929 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 391 | 11 | 1 | 4 | 4.9 | Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
53327991 | 63071 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796046 | 63071 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
11994797 | 12208 | 0 | None | -5 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
CHEMBL1185017 | 12208 | 0 | None | -5 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
CHEMBL383938 | 12208 | 0 | None | -5 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
127040061 | 136403 | 0 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
CHEMBL3739932 | 136403 | 0 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
CHEMBL3742489 | 136403 | 0 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
44431620 | 87370 | 0 | None | -4 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL233790 | 87370 | 0 | None | -4 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
11245925 | 197464 | 0 | None | 8 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 7 | 0 | 4 | 3.4 | CN(CCOc1ccccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
CHEMBL58930 | 197464 | 0 | None | 8 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 7 | 0 | 4 | 3.4 | CN(CCOc1ccccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
118716698 | 114494 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 364 | 4 | 0 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342852 | 114494 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 364 | 4 | 0 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
11984570 | 92372 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
CHEMBL243694 | 92372 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
10651219 | 33516 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 600 | 10 | 3 | 8 | 2.1 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
CHEMBL142236 | 33516 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 600 | 10 | 3 | 8 | 2.1 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
10745766 | 37251 | 0 | None | -199 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 2.7 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | ||
CHEMBL145562 | 37251 | 0 | None | -199 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 2.7 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | ||
10438280 | 101127 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990200p | ||
CHEMBL298713 | 101127 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990200p | ||
10722099 | 120581 | 0 | None | -467 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 588 | 8 | 3 | 7 | 2.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL357172 | 120581 | 0 | None | -467 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 588 | 8 | 3 | 7 | 2.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | ||
10438280 | 101127 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL298713 | 101127 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
21712258 | 168697 | 0 | None | -194 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 8 | 1 | 3 | 5.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
CHEMBL44124 | 168697 | 0 | None | -194 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 8 | 1 | 3 | 5.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
21712258 | 168697 | 0 | None | -194 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 8 | 1 | 3 | 5.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL44124 | 168697 | 0 | None | -194 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 8 | 1 | 3 | 5.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
56946577 | 71168 | 0 | None | -40 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 9 | 1 | 4 | 4.6 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)C1=O | 10.1021/jm200421e | ||
CHEMBL1946782 | 71168 | 0 | None | -40 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 9 | 1 | 4 | 4.6 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)C1=O | 10.1021/jm200421e | ||
CHEMBL1962754 | 71168 | 0 | None | -40 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 9 | 1 | 4 | 4.6 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)C1=O | 10.1021/jm200421e | ||
10892762 | 78411 | 0 | None | -37 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 326 | 7 | 1 | 4 | 3.8 | COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1 | 10.1021/jm010866v | ||
CHEMBL2112774 | 78411 | 0 | None | -37 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 326 | 7 | 1 | 4 | 3.8 | COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1 | 10.1021/jm010866v | ||
10660 | 14298 | 55 | None | -38 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
CHEMBL1200406 | 14298 | 55 | None | -38 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
10811627 | 203839 | 0 | None | -173 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
CHEMBL538529 | 203839 | 0 | None | -173 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
CHEMBL81093 | 203839 | 0 | None | -173 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
10793963 | 99211 | 0 | None | -23 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
CHEMBL284470 | 99211 | 0 | None | -23 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
10416624 | 109162 | 0 | None | -457 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 634 | 14 | 4 | 10 | 2.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00484-9 | ||
136806219 | 109162 | 0 | None | -457 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 634 | 14 | 4 | 10 | 2.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL322405 | 109162 | 0 | None | -457 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 634 | 14 | 4 | 10 | 2.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00484-9 | ||
11994673 | 12210 | 0 | None | -7 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
CHEMBL1185036 | 12210 | 0 | None | -7 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
CHEMBL385371 | 12210 | 0 | None | -7 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
11801861 | 118283 | 0 | None | -181 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 609 | 6 | 2 | 6 | 4.0 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL342064 | 118283 | 0 | None | -181 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 609 | 6 | 2 | 6 | 4.0 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
4038180 | 202 | 11 | None | -141 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
480 | 202 | 11 | None | -141 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
CHEMBL109783 | 202 | 11 | None | -141 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
4038180 | 202 | 11 | None | -141 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
480 | 202 | 11 | None | -141 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
CHEMBL109783 | 202 | 11 | None | -141 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
127046693 | 139137 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | nan | ||
CHEMBL3797887 | 139137 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | nan | ||
CHEMBL4762646 | 139137 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | nan | ||
44331174 | 4105 | 0 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 4.9 | O=C1c2ccccc2CC12CCN(CCc1cccc3ccccc13)CC2 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL100052 | 4105 | 0 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 4.9 | O=C1c2ccccc2CC12CCN(CCc1cccc3ccccc13)CC2 | 10.1016/s0960-894x(98)00732-x | ||
4189 | 205195 | 91 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1559 | 205195 | 91 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL91 | 205195 | 91 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
44431590 | 87552 | 0 | None | -7 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234232 | 87552 | 0 | None | -7 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
44431612 | 148332 | 0 | None | 2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL394139 | 148332 | 0 | None | 2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
10674564 | 202239 | 0 | None | -83 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 569 | 10 | 1 | 7 | 4.3 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL69264 | 202239 | 0 | None | -83 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 569 | 10 | 1 | 7 | 4.3 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
31101 | 720 | 39 | None | -7 | 35 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
35 | 720 | 39 | None | -7 | 35 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
403 | 720 | 39 | None | -7 | 35 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
CHEMBL493 | 720 | 39 | None | -7 | 35 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
DB01200 | 720 | 39 | None | -7 | 35 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
26987 | 936 | 29 | None | -39 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
6063 | 936 | 29 | None | -39 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
671 | 936 | 29 | None | -39 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
CHEMBL1626 | 936 | 29 | None | -39 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
DB00283 | 936 | 29 | None | -39 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
58149995 | 139536 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 353 | 4 | 2 | 5 | 1.7 | CC(c1cccc(S(C)(=O)=O)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3800449 | 139536 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 353 | 4 | 2 | 5 | 1.7 | CC(c1cccc(S(C)(=O)=O)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
44308466 | 202092 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 429 | 7 | 0 | 7 | 3.2 | COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL68241 | 202092 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 429 | 7 | 0 | 7 | 3.2 | COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1 | 10.1016/s0960-894x(02)00347-5 | ||
16041091 | 94777 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL256041 | 94777 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
11071135 | 206268 | 0 | None | -6 | 8 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 6 | 0 | 6 | 4.6 | CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O | 10.1021/jm020938y | ||
CHEMBL97333 | 206268 | 0 | None | -6 | 8 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 6 | 0 | 6 | 4.6 | CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O | 10.1021/jm020938y | ||
71508712 | 86640 | 0 | None | -95 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 389 | 3 | 0 | 5 | 4.4 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
CHEMBL2326175 | 86640 | 0 | None | -95 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 389 | 3 | 0 | 5 | 4.4 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
10699164 | 36797 | 0 | None | -151 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL145190 | 36797 | 0 | None | -151 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
11994667 | 11726 | 0 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182143 | 11726 | 0 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL214694 | 11726 | 0 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
52944674 | 16941 | 0 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 395 | 11 | 3 | 6 | 3.7 | Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1255085 | 16941 | 0 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 395 | 11 | 3 | 6 | 3.7 | Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
9958160 | 197176 | 0 | None | 29 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 515 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(I)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL58384 | 197176 | 0 | None | 29 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 515 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(I)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
11304135 | 193986 | 0 | None | -1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 400 | 5 | 0 | 6 | 2.4 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 | 10.1021/jm030944+ | ||
CHEMBL55647 | 193986 | 0 | None | -1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 400 | 5 | 0 | 6 | 2.4 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 | 10.1021/jm030944+ | ||
50905589 | 56060 | 0 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
CHEMBL1630942 | 56060 | 0 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
11338016 | 35747 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 5 | 2 | 6 | 3.0 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | ||
CHEMBL144286 | 35747 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 5 | 2 | 6 | 3.0 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | ||
3894573 | 3341 | 4 | None | -19 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm960697s | ||
495 | 3341 | 4 | None | -19 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm960697s | ||
CHEMBL88272 | 3341 | 4 | None | -19 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm960697s | ||
53327748 | 63058 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796033 | 63058 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
155555859 | 175653 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4551941 | 175653 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4594653 | 175653 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
11994551 | 11735 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
CHEMBL1182179 | 11735 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
CHEMBL217143 | 11735 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
44298746 | 193959 | 0 | None | -19 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 452 | 7 | 1 | 6 | 2.4 | Cc1c[nH]c(=O)n(CC2(CN3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL55629 | 193959 | 0 | None | -19 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 452 | 7 | 1 | 6 | 2.4 | Cc1c[nH]c(=O)n(CC2(CN3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
10846051 | 59148 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 208 | 3 | 1 | 3 | 2.5 | COC(c1c[nH]cn1)c1cscc1C | 10.1021/jm0003891 | ||
CHEMBL171278 | 59148 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 208 | 3 | 1 | 3 | 2.5 | COC(c1c[nH]cn1)c1cscc1C | 10.1021/jm0003891 | ||
CHEMBL1744286 | 59148 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 208 | 3 | 1 | 3 | 2.5 | COC(c1c[nH]cn1)c1cscc1C | 10.1021/jm0003891 | ||
10721751 | 34407 | 0 | None | -1513 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL142981 | 34407 | 0 | None | -1513 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
191 | 399 | 92 | None | -23 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
201 | 399 | 92 | None | -23 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
2170 | 399 | 92 | None | -23 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
CHEMBL1113 | 399 | 92 | None | -23 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
DB00543 | 399 | 92 | None | -23 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
10531022 | 120556 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(F)c1 | 10.1021/jm990200p | ||
CHEMBL356978 | 120556 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(F)c1 | 10.1021/jm990200p | ||
10721751 | 34407 | 0 | None | -1513 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL142981 | 34407 | 0 | None | -1513 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
10720893 | 37136 | 0 | None | -758 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 526 | 7 | 2 | 5 | 4.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL145459 | 37136 | 0 | None | -758 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 526 | 7 | 2 | 5 | 4.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
4038180 | 202 | 11 | None | -141 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | ||
480 | 202 | 11 | None | -141 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | ||
CHEMBL109783 | 202 | 11 | None | -141 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | ||
9984150 | 101299 | 0 | None | -891 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 519 | 7 | 0 | 4 | 5.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
CHEMBL299914 | 101299 | 0 | None | -891 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 519 | 7 | 0 | 4 | 5.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
10097317 | 198401 | 0 | None | -758 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 495 | 8 | 2 | 4 | 4.9 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
CHEMBL59590 | 198401 | 0 | None | -758 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 495 | 8 | 2 | 4 | 4.9 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
44288492 | 162862 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL41959 | 162862 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
11801828 | 204818 | 0 | None | -93 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
CHEMBL88628 | 204818 | 0 | None | -93 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
53328504 | 63063 | 0 | None | 4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 445 | 5 | 0 | 4 | 4.0 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796038 | 63063 | 0 | None | 4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 445 | 5 | 0 | 4 | 4.0 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
10314056 | 206409 | 1 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 3.1 | O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL98167 | 206409 | 1 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 3.1 | O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
12134987 | 203280 | 0 | None | -16 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 2.8 | CC(C)Oc1ccccc1N1CCN(CC2=NOC(CN3CCCCC3=O)C2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
CHEMBL76643 | 203280 | 0 | None | -16 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 2.8 | CC(C)Oc1ccccc1N1CCN(CC2=NOC(CN3CCCCC3=O)C2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
10770317 | 202193 | 0 | None | -123 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 632 | 12 | 2 | 10 | 3.2 | COc1cc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc(OC)c1OC | 10.1021/jm9905918 | ||
CHEMBL68913 | 202193 | 0 | None | -123 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 632 | 12 | 2 | 10 | 3.2 | COc1cc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc(OC)c1OC | 10.1021/jm9905918 | ||
11189412 | 196794 | 0 | None | -18 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1021/jm030944+ | ||
CHEMBL57747 | 196794 | 0 | None | -18 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1021/jm030944+ | ||
25132565 | 186688 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2COC[C@@H](c3ccccc3)O2)cc1 | 10.1021/jm800461k | ||
CHEMBL492785 | 186688 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2COC[C@@H](c3ccccc3)O2)cc1 | 10.1021/jm800461k | ||
56946579 | 71169 | 0 | None | -44 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 440 | 6 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1021/jm200421e | ||
CHEMBL1946783 | 71169 | 0 | None | -44 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 440 | 6 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1021/jm200421e | ||
CHEMBL1962755 | 71169 | 0 | None | -44 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 440 | 6 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1021/jm200421e | ||
19968568 | 84915 | 0 | None | -2 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 323 | 4 | 2 | 5 | 1.5 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
CHEMBL2261353 | 84915 | 0 | None | -2 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 323 | 4 | 2 | 5 | 1.5 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
10674544 | 118286 | 0 | None | -346 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)C(=O)Oc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL342111 | 118286 | 0 | None | -346 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)C(=O)Oc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
1443 | 1997 | 30 | None | -14 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | ||
33625 | 1997 | 30 | None | -14 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | ||
501 | 1997 | 30 | None | -14 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | ||
CHEMBL279516 | 1997 | 30 | None | -14 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | ||
DB08950 | 1997 | 30 | None | -14 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | ||
9817640 | 98871 | 0 | None | -38 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 295 | 6 | 1 | 2 | 3.6 | COc1ccc(CCNCC2CCc3ccccc3C2)cc1 | 10.1021/jm960697s | ||
CHEMBL282214 | 98871 | 0 | None | -38 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 295 | 6 | 1 | 2 | 3.6 | COc1ccc(CCNCC2CCc3ccccc3C2)cc1 | 10.1021/jm960697s | ||
9809007 | 171996 | 6 | None | -407 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
CHEMBL448620 | 171996 | 6 | None | -407 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
9904117 | 9312 | 3 | None | -15 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
CHEMBL111554 | 9312 | 3 | None | -15 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
9904117 | 9312 | 3 | None | -15 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL111554 | 9312 | 3 | None | -15 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
9944937 | 110850 | 0 | None | -1 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 320 | 4 | 2 | 3 | 2.1 | CN(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL326862 | 110850 | 0 | None | -1 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 320 | 4 | 2 | 3 | 2.1 | CN(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
18187410 | 104419 | 0 | None | -56 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 6 | 1 | 6 | 3.5 | O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL311247 | 104419 | 0 | None | -56 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 6 | 1 | 6 | 3.5 | O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
44431599 | 87636 | 0 | None | -10 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234609 | 87636 | 0 | None | -10 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | ||
9930376 | 122547 | 0 | None | -25 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | Fc1ccc2c(C3CCN(CCCN4CCc5ccccc5C4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | ||
CHEMBL3609360 | 122547 | 0 | None | -25 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | Fc1ccc2c(C3CCN(CCCN4CCc5ccccc5C4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | ||
10578715 | 102202 | 0 | None | -144 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 4.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
CHEMBL304591 | 102202 | 0 | None | -144 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 4.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
1212 | 1632 | 45 | None | -18 | 65 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
204 | 1632 | 45 | None | -18 | 65 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
3372 | 1632 | 45 | None | -18 | 65 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
CHEMBL726 | 1632 | 45 | None | -18 | 65 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
DB00623 | 1632 | 45 | None | -18 | 65 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
2274 | 3124 | 53 | None | -5 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
4917 | 3124 | 53 | None | -5 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
7279 | 3124 | 53 | None | -5 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
CHEMBL728 | 3124 | 53 | None | -5 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
DB00433 | 3124 | 53 | None | -5 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
59151542 | 139505 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 275 | 4 | 2 | 3 | 2.0 | N=c1c(C(N)=O)cc(Cl)cn1CCc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3800219 | 139505 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 275 | 4 | 2 | 3 | 2.0 | N=c1c(C(N)=O)cc(Cl)cn1CCc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | ||
44300165 | 101381 | 0 | None | -66 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL300540 | 101381 | 0 | None | -66 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
16041265 | 94893 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL256597 | 94893 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
49781679 | 17697 | 0 | None | -13 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1C | 10.1021/jm100652h | ||
CHEMBL1259080 | 17697 | 0 | None | -13 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1C | 10.1021/jm100652h | ||
11234093 | 198008 | 0 | None | -12 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2O)CC1 | 10.1021/jm030944+ | ||
CHEMBL59315 | 198008 | 0 | None | -12 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2O)CC1 | 10.1021/jm030944+ | ||
46934645 | 16508 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1242725 | 16508 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
53327992 | 63075 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796050 | 63075 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
10688604 | 24548 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
CHEMBL134428 | 24548 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
25130876 | 192025 | 0 | None | -4 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/jm800461k | ||
CHEMBL521665 | 192025 | 0 | None | -4 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/jm800461k | ||
9867138 | 194119 | 0 | None | 26 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 425 | 7 | 0 | 4 | 4.1 | CN(CCN1C(=O)CC2(CCCC2)CC1=O)CCN(C)c1cc(Cl)ccc1Cl | 10.1021/jm030944+ | ||
CHEMBL55790 | 194119 | 0 | None | 26 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 425 | 7 | 0 | 4 | 4.1 | CN(CCN1C(=O)CC2(CCCC2)CC1=O)CCN(C)c1cc(Cl)ccc1Cl | 10.1021/jm030944+ | ||
44431184 | 92418 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
CHEMBL243866 | 92418 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
155565449 | 175757 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4579802 | 175757 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4595447 | 175757 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
3826471 | 97029 | 12 | None | -9 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 296 | 5 | 0 | 3 | 3.1 | COc1ccccc1N1CCN(CCc2ccccc2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
CHEMBL27021 | 97029 | 12 | None | -9 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 296 | 5 | 0 | 3 | 3.1 | COc1ccccc1N1CCN(CCc2ccccc2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
10621590 | 84183 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153554 | 84183 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2221148 | 84183 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
44289261 | 164360 | 0 | None | -33 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
CHEMBL42231 | 164360 | 0 | None | -33 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
13442845 | 139081 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 1.9 | N=c1c(C(N)=O)cc(Br)cn1Cc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3797500 | 139081 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 1.9 | N=c1c(C(N)=O)cc(Br)cn1Cc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | ||
59151549 | 139228 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 251 | 3 | 2 | 4 | 1.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccco1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3798506 | 139228 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 251 | 3 | 2 | 4 | 1.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccco1 | 10.1021/acs.jmedchem.5b01528 | ||
10576661 | 205131 | 0 | None | -1230 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 479 | 7 | 3 | 4 | 3.5 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
CHEMBL90652 | 205131 | 0 | None | -1230 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 479 | 7 | 3 | 4 | 3.5 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
9809007 | 171996 | 6 | None | -407 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
CHEMBL448620 | 171996 | 6 | None | -407 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
10768423 | 100857 | 0 | None | -1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL296711 | 100857 | 0 | None | -1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
10626453 | 121501 | 0 | None | -72 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL359430 | 121501 | 0 | None | -72 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
10026936 | 162906 | 0 | None | -204 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL41994 | 162906 | 0 | None | -204 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
2771 | 193347 | 67 | None | -9 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
CHEMBL1200781 | 193347 | 67 | None | -9 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
CHEMBL549 | 193347 | 67 | None | -9 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
2146 | 3051 | 63 | None | -64 | 8 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
485 | 3051 | 63 | None | -64 | 8 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
6041 | 3051 | 63 | None | -64 | 8 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
CHEMBL1215 | 3051 | 63 | None | -64 | 8 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
DB00388 | 3051 | 63 | None | -64 | 8 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
11079593 | 202415 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70326 | 202415 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
1210 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
1213 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
2725 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
33036 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
4411 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
616 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
6976 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
716121 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
90475904 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL1201353 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL1554789 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL505 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
DB01114 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
DB13679 | 905 | 45 | None | -380 | 20 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
43260 | 5408 | 61 | None | -1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | ||
CHEMBL1076 | 5408 | 61 | None | -1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | ||
9926529 | 9299 | 2 | None | -19 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
CHEMBL111496 | 9299 | 2 | None | -19 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
43260 | 5408 | 61 | None | -1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm030551a | ||
CHEMBL1076 | 5408 | 61 | None | -1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm030551a | ||
136806217 | 205965 | 0 | None | -120 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 576 | 13 | 4 | 8 | 2.7 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44328806 | 205965 | 0 | None | -120 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 576 | 13 | 4 | 8 | 2.7 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL95548 | 205965 | 0 | None | -120 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 576 | 13 | 4 | 8 | 2.7 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
10624993 | 111196 | 0 | None | -660 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 3.9 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
CHEMBL328658 | 111196 | 0 | None | -660 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 3.9 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
10694274 | 197344 | 0 | None | -1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 3.7 | COc1cc2c(cc1OC)NC(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | ||
CHEMBL58585 | 197344 | 0 | None | -1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 3.7 | COc1cc2c(cc1OC)NC(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | ||
44568918 | 186773 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | ||
CHEMBL493284 | 186773 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | ||
10508132 | 106534 | 0 | None | -28 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL315392 | 106534 | 0 | None | -28 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | ||
9922027 | 114911 | 0 | None | -1 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL3350265 | 114911 | 0 | None | -1 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | ||
135398737 | 944 | 89 | None | -2 | 91 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
38 | 944 | 89 | None | -2 | 91 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
722 | 944 | 89 | None | -2 | 91 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
DB00363 | 944 | 89 | None | -2 | 91 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
70820518 | 166966 | 0 | None | 64 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 3.7 | CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4213747 | 166966 | 0 | None | 64 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 3.7 | CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4300105 | 166966 | 0 | None | 64 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 3.7 | CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
70820461 | 167186 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.9 | O=S1(=O)CCC(NCCOc2cc(F)ccc2F)c2ccccc21 | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4217445 | 167186 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.9 | O=S1(=O)CCC(NCCOc2cc(F)ccc2F)c2ccccc21 | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4302890 | 167186 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.9 | O=S1(=O)CCC(NCCOc2cc(F)ccc2F)c2ccccc21 | 10.1016/j.ejmech.2017.07.071 | ||
10934575 | 202781 | 0 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72441 | 202781 | 0 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
50905588 | 56059 | 0 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
CHEMBL1630941 | 56059 | 0 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
11653915 | 123494 | 0 | None | -4 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
CHEMBL362954 | 123494 | 0 | None | -4 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
10893672 | 203701 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 6 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL80132 | 203701 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 6 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
52941056 | 16942 | 0 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 363 | 11 | 1 | 4 | 4.3 | c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1255086 | 16942 | 0 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 363 | 11 | 1 | 4 | 4.3 | c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1 | 10.1016/j.bmc.2010.08.002 | ||
463 | 1378 | 17 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
6918097 | 1378 | 17 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
837 | 1378 | 17 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
CHEMBL2051956 | 1378 | 17 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
DB14068 | 1378 | 17 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
145948012 | 167163 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1cccc2c1S(=O)(=O)CCC2NCCOc1cc(F)ccc1F | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4209507 | 167163 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1cccc2c1S(=O)(=O)CCC2NCCOc1cc(F)ccc1F | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4302666 | 167163 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1cccc2c1S(=O)(=O)CCC2NCCOc1cc(F)ccc1F | 10.1016/j.ejmech.2017.07.071 | ||
44460423 | 203904 | 0 | None | -11 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 4.3 | O=C1CCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
CHEMBL81661 | 203904 | 0 | None | -11 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 4.3 | O=C1CCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
44300166 | 194679 | 0 | None | -20 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL56248 | 194679 | 0 | None | -20 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
10721564 | 205619 | 0 | None | -223 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 558 | 7 | 1 | 5 | 4.9 | COC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | ||
CHEMBL93623 | 205619 | 0 | None | -223 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 558 | 7 | 1 | 5 | 4.9 | COC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | ||
10674791 | 37937 | 0 | None | -38 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm990200p | ||
CHEMBL146163 | 37937 | 0 | None | -38 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm990200p | ||
10578926 | 118461 | 0 | None | -85 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL342347 | 118461 | 0 | None | -85 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
10816832 | 120990 | 0 | None | -489 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL358313 | 120990 | 0 | None | -489 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
43260 | 5408 | 61 | None | -1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | ||
CHEMBL1076 | 5408 | 61 | None | -1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | ||
44288754 | 169948 | 0 | None | -36 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 9 | 1 | 6 | 3.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL44496 | 169948 | 0 | None | -36 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 9 | 1 | 6 | 3.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
10579368 | 105524 | 0 | None | -8 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL313251 | 105524 | 0 | None | -8 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
44312563 | 203212 | 2 | None | -144 | 7 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1021/jm960069a | ||
CHEMBL76168 | 203212 | 2 | None | -144 | 7 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1021/jm960069a | ||
132060776 | 161852 | 0 | None | -6 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4165863 | 161852 | 0 | None | -6 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
9844511 | 104117 | 0 | None | -85 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
CHEMBL310471 | 104117 | 0 | None | -85 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
155552821 | 176109 | 0 | None | -7 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.2 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4544457 | 176109 | 0 | None | -7 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.2 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4598345 | 176109 | 0 | None | -7 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.2 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
134132279 | 144541 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNCC1COC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | ||
CHEMBL3911497 | 144541 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNCC1COC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | ||
10836245 | 102274 | 0 | None | -58 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL305029 | 102274 | 0 | None | -58 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL552830 | 102274 | 0 | None | -58 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
10415038 | 4373 | 0 | None | -6 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 545 | 6 | 1 | 7 | 5.3 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL101610 | 4373 | 0 | None | -6 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 545 | 6 | 1 | 7 | 5.3 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
9802999 | 194001 | 0 | None | 2 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 3.1 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL55655 | 194001 | 0 | None | 2 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 3.1 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1 | 10.1021/jm030944+ | ||
71817710 | 101934 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL2419770 | 101934 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL3039705 | 101934 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
71817859 | 102106 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
CHEMBL2419772 | 102106 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
CHEMBL3040801 | 102106 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
11485631 | 162601 | 0 | None | -2 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 374 | 8 | 0 | 5 | 2.7 | COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
CHEMBL417939 | 162601 | 0 | None | -2 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 374 | 8 | 0 | 5 | 2.7 | COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
9959671 | 32452 | 0 | None | -371 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL141322 | 32452 | 0 | None | -371 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
10841070 | 37446 | 0 | None | -380 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL145746 | 37446 | 0 | None | -380 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
44294957 | 190450 | 0 | None | -295 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 556 | 7 | 2 | 8 | 2.7 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCN(c3ccccc3[N+](=O)[O-])CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | ||
CHEMBL51871 | 190450 | 0 | None | -295 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 556 | 7 | 2 | 8 | 2.7 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCN(c3ccccc3[N+](=O)[O-])CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | ||
10722045 | 32596 | 0 | None | -891 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm990200p | ||
CHEMBL141444 | 32596 | 0 | None | -891 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm990200p | ||
10393665 | 33700 | 0 | None | -151 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
CHEMBL142383 | 33700 | 0 | None | -151 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
10555288 | 34517 | 0 | None | -162 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(Cl)c1 | 10.1021/jm990200p | ||
CHEMBL143066 | 34517 | 0 | None | -162 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(Cl)c1 | 10.1021/jm990200p | ||
10650633 | 37304 | 0 | None | -147 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1 | 10.1021/jm990200p | ||
CHEMBL145610 | 37304 | 0 | None | -147 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1 | 10.1021/jm990200p | ||
10675068 | 96003 | 0 | None | -891 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3cccc(F)c3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL262217 | 96003 | 0 | None | -891 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3cccc(F)c3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
44213782 | 10440 | 0 | None | -588 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)C1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CCC1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
CHEMBL1169493 | 10440 | 0 | None | -588 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)C1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CCC1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
10840781 | 36702 | 0 | None | -4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 569 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(C(C)=O)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL145122 | 36702 | 0 | None | -4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 569 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(C(C)=O)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
53248365 | 61757 | 0 | None | -190 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 2.9 | O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I | 10.1021/jm1009956 | ||
CHEMBL1774995 | 61757 | 0 | None | -190 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 2.9 | O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I | 10.1021/jm1009956 | ||
11135150 | 7522 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL1087942 | 7522 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL287686 | 7522 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
76330200 | 84916 | 0 | None | -3 | 3 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 323 | 3 | 2 | 5 | 1.2 | CN(c1c(O)ccc2c1CCCC2C1=NCCN1)S(C)(=O)=O | 10.1007/s00044-004-0020-z | ||
CHEMBL2261354 | 84916 | 0 | None | -3 | 3 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 323 | 3 | 2 | 5 | 1.2 | CN(c1c(O)ccc2c1CCCC2C1=NCCN1)S(C)(=O)=O | 10.1007/s00044-004-0020-z | ||
1530 | 2151 | 44 | None | -104 | 20 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
3827 | 2151 | 44 | None | -104 | 20 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
7206 | 2151 | 44 | None | -104 | 20 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
CHEMBL534 | 2151 | 44 | None | -104 | 20 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
DB00920 | 2151 | 44 | None | -104 | 20 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
489 | 145 | 22 | None | -380 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
5640 | 145 | 22 | None | -380 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
CHEMBL420060 | 145 | 22 | None | -380 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
76330198 | 84912 | 0 | None | -2 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 337 | 5 | 3 | 5 | 2.0 | CCCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
CHEMBL2261348 | 84912 | 0 | None | -2 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 337 | 5 | 3 | 5 | 2.0 | CCCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
10622206 | 101622 | 0 | None | -3 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc2c(cc1OC)NCN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | ||
CHEMBL302192 | 101622 | 0 | None | -3 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc2c(cc1OC)NCN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | ||
44431611 | 87153 | 0 | None | -6 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL233582 | 87153 | 0 | None | -6 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
44431560 | 145045 | 0 | None | 2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL391530 | 145045 | 0 | None | 2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
56649650 | 67516 | 0 | None | -21 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 466 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
CHEMBL1910141 | 67516 | 0 | None | -21 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 466 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
10479323 | 34470 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3 | 10.1021/jm030952q | ||
CHEMBL143026 | 34470 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3 | 10.1021/jm030952q | ||
118716722 | 114518 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 2.5 | CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(c3ccccc3OC)CC1)O2 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342875 | 114518 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 2.5 | CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(c3ccccc3OC)CC1)O2 | 10.1016/j.ejmech.2014.09.070 | ||
11395842 | 100224 | 0 | None | 6 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.0 | CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
CHEMBL292399 | 100224 | 0 | None | 6 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.0 | CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
2142 | 3047 | 54 | None | -5 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
4920903 | 3047 | 54 | None | -5 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
502 | 3047 | 54 | None | -5 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
5775 | 3047 | 54 | None | -5 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
CHEMBL597 | 3047 | 54 | None | -5 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
DB00692 | 3047 | 54 | None | -5 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
10602180 | 168415 | 0 | None | -5 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL43909 | 168415 | 0 | None | -5 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
11762075 | 108016 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 445 | 4 | 2 | 5 | 3.3 | CC(C)(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL319972 | 108016 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 445 | 4 | 2 | 5 | 3.3 | CC(C)(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | ||
44298694 | 100225 | 0 | None | -9 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | Cc1cn(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]c1=O | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL292403 | 100225 | 0 | None | -9 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | Cc1cn(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]c1=O | 10.1016/s0960-894x(03)00305-6 | ||
10507089 | 101858 | 0 | None | -186 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL303627 | 101858 | 0 | None | -186 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
10747201 | 36651 | 0 | None | -1905 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 618 | 10 | 3 | 8 | 2.3 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
CHEMBL145072 | 36651 | 0 | None | -1905 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 618 | 10 | 3 | 8 | 2.3 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
10531675 | 36550 | 0 | None | -100 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 602 | 8 | 2 | 5 | 5.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL144989 | 36550 | 0 | None | -100 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 602 | 8 | 2 | 5 | 5.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
11183468 | 109384 | 2 | None | -3 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
CHEMBL323402 | 109384 | 2 | None | -3 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
155524736 | 170423 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 368 | 5 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(C[C@H]2OCCO[C@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL4456257 | 170423 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 368 | 5 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(C[C@H]2OCCO[C@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | ||
11183468 | 109384 | 2 | None | -3 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL323402 | 109384 | 2 | None | -3 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
10745566 | 34095 | 0 | None | -134 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 566 | 10 | 1 | 6 | 5.1 | CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | ||
CHEMBL142719 | 34095 | 0 | None | -134 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 566 | 10 | 1 | 6 | 5.1 | CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | ||
44295193 | 101308 | 0 | None | -54 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 576 | 7 | 2 | 9 | 2.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3c(c2)OCO3)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
CHEMBL299984 | 101308 | 0 | None | -54 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 576 | 7 | 2 | 9 | 2.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3c(c2)OCO3)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
11449200 | 78052 | 0 | None | -20 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL2111710 | 78052 | 0 | None | -20 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1021/jm030551a | ||
487 | 3577 | 17 | None | -239 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
60602 | 3577 | 17 | None | -239 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
CHEMBL405355 | 3577 | 17 | None | -239 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
DB09239 | 3577 | 17 | None | -239 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
10320782 | 99515 | 0 | None | -22 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 | 10.1021/jm960069a | ||
CHEMBL286565 | 99515 | 0 | None | -22 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 | 10.1021/jm960069a | ||
53779053 | 78028 | 0 | None | -15 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
CHEMBL2111563 | 78028 | 0 | None | -15 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
10721730 | 37260 | 0 | None | -245 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)c2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL145571 | 37260 | 0 | None | -245 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)c2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
4011 | 81996 | 43 | None | -19 | 23 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
CHEMBL21731 | 81996 | 43 | None | -19 | 23 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
11488170 | 35004 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 10 | 2 | 8 | 3.6 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | ||
CHEMBL143558 | 35004 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 10 | 2 | 8 | 3.6 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | ||
11152823 | 164707 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 367 | 5 | 2 | 6 | 2.6 | COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | ||
CHEMBL423018 | 164707 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 367 | 5 | 2 | 6 | 2.6 | COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | ||
10640982 | 26230 | 0 | None | -239 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
CHEMBL135974 | 26230 | 0 | None | -239 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
44531812 | 193016 | 0 | None | -10 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL532818 | 193016 | 0 | None | -10 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
44531812 | 193016 | 0 | None | -10 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL532818 | 193016 | 0 | None | -10 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
11519153 | 85322 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
11519153 | 85322 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL229085 | 85322 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL229085 | 85322 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
9826801 | 107451 | 0 | None | -8 | 12 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
CHEMBL319352 | 107451 | 0 | None | -8 | 12 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
9826801 | 107451 | 0 | None | -8 | 12 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1016/j.bmc.2012.10.049 | ||
CHEMBL319352 | 107451 | 0 | None | -8 | 12 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1016/j.bmc.2012.10.049 | ||
9826801 | 107451 | 0 | None | -8 | 12 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | ||
CHEMBL319352 | 107451 | 0 | None | -8 | 12 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | ||
12840735 | 196319 | 0 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1 | 10.1021/jm030944+ | ||
CHEMBL57364 | 196319 | 0 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1 | 10.1021/jm030944+ | ||
10478895 | 99763 | 0 | None | -2 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL288530 | 99763 | 0 | None | -2 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
10718348 | 99781 | 0 | None | -3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL288678 | 99781 | 0 | None | -3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
10839389 | 99890 | 0 | None | 3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(C#N)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL289627 | 99890 | 0 | None | 3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(C#N)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
44431557 | 88848 | 0 | None | 8 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL236830 | 88848 | 0 | None | 8 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
11857711 | 85194 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228280 | 85194 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
10487999 | 59086 | 5 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1237160 | 59086 | 5 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL170960 | 59086 | 5 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
145962478 | 161699 | 0 | None | -4 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
CHEMBL4163587 | 161699 | 0 | None | -4 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
11474152 | 100154 | 0 | None | 11 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.8 | Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
CHEMBL291908 | 100154 | 0 | None | 11 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.8 | Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
44431594 | 166856 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL429623 | 166856 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
11857709 | 85201 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
11857709 | 85201 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL228334 | 85201 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228334 | 85201 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
9932835 | 100326 | 0 | None | 23 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL293111 | 100326 | 0 | None | 23 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
71817547 | 102105 | 0 | None | -8 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
CHEMBL2419771 | 102105 | 0 | None | -8 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
CHEMBL3040800 | 102105 | 0 | None | -8 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
145962945 | 160796 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 4.6 | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4125846 | 160796 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 4.6 | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
90645606 | 111947 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 4.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCNC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298024 | 111947 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 4.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCNC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
10679310 | 58902 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1sccc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL170201 | 58902 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1sccc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
CHEMBL1744269 | 58902 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1sccc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | ||
10647790 | 100921 | 0 | None | -4 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 463 | 4 | 1 | 8 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL297218 | 100921 | 0 | None | -4 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 463 | 4 | 1 | 8 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
44428848 | 91862 | 0 | None | -9 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 453 | 4 | 1 | 8 | 3.6 | COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL242724 | 91862 | 0 | None | -9 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 453 | 4 | 1 | 8 | 3.6 | COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
9908283 | 197258 | 0 | None | 21 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 0 | 4 | 3.0 | Cc1ccc(F)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | ||
CHEMBL58476 | 197258 | 0 | None | 21 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 0 | 4 | 3.0 | Cc1ccc(F)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | ||
44431547 | 154067 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL399195 | 154067 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
2419 | 688 | 22 | None | -3 | 12 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | ||
9 | 688 | 22 | None | -3 | 12 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | ||
CHEMBL13647 | 688 | 22 | None | -3 | 12 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | ||
44431548 | 86618 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL232592 | 86618 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
10582623 | 101298 | 0 | None | 1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL299907 | 101298 | 0 | None | 1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
52942395 | 17739 | 0 | None | -4 | 6 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
CHEMBL1259203 | 17739 | 0 | None | -4 | 6 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
52942395 | 17739 | 0 | None | -4 | 6 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1021/jm100652h | ||
CHEMBL1259203 | 17739 | 0 | None | -4 | 6 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1021/jm100652h | ||
148842 | 3883 | 21 | None | -8 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | ||
496 | 3883 | 21 | None | -8 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | ||
CHEMBL278865 | 3883 | 21 | None | -8 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | ||
9909211 | 93774 | 1 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 404 | 8 | 2 | 7 | 1.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1 | 10.1021/jm960697s | ||
CHEMBL24981 | 93774 | 1 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 404 | 8 | 2 | 7 | 1.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1 | 10.1021/jm960697s | ||
46934641 | 16499 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1242633 | 16499 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
44298447 | 100332 | 0 | None | -5 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 430 | 6 | 1 | 6 | 1.7 | Cc1c[nH]c(=O)n(CCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL293149 | 100332 | 0 | None | -5 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 430 | 6 | 1 | 6 | 1.7 | Cc1c[nH]c(=O)n(CCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
134147929 | 149109 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 340 | 7 | 0 | 4 | 3.5 | CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
CHEMBL3947302 | 149109 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 340 | 7 | 0 | 4 | 3.5 | CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
11857710 | 141831 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL388897 | 141831 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
25025048 | 139516 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3800305 | 139516 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.5b01528 | ||
16041265 | 94893 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL256597 | 94893 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
9822812 | 194199 | 0 | None | 30 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL55882 | 194199 | 0 | None | 30 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
44426405 | 141521 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL387832 | 141521 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | ||
16041451 | 97359 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL271913 | 97359 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
16041628 | 154811 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL403280 | 154811 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
10917953 | 206249 | 0 | None | -7 | 10 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 489 | 6 | 0 | 8 | 3.6 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
CHEMBL97242 | 206249 | 0 | None | -7 | 10 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 489 | 6 | 0 | 8 | 3.6 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
10742417 | 201085 | 0 | None | -1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 455 | 5 | 1 | 6 | 3.0 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl | 10.1021/jm000541z | ||
CHEMBL62109 | 201085 | 0 | None | -1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 455 | 5 | 1 | 6 | 3.0 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl | 10.1021/jm000541z | ||
52945156 | 16877 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 455 | 13 | 1 | 6 | 4.1 | COc1cccc(OC)c1[S+]([O-])CCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1254660 | 16877 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 455 | 13 | 1 | 6 | 4.1 | COc1cccc(OC)c1[S+]([O-])CCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
49781233 | 17743 | 0 | None | -41 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnnn4C)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1259217 | 17743 | 0 | None | -41 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnnn4C)cc32)CC1 | 10.1021/jm100652h | ||
10554492 | 168002 | 0 | None | 1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 505 | 5 | 1 | 8 | 3.4 | COC(=O)c1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2c1 | 10.1021/jm990567u | ||
CHEMBL43573 | 168002 | 0 | None | 1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 505 | 5 | 1 | 8 | 3.4 | COC(=O)c1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2c1 | 10.1021/jm990567u | ||
10716964 | 100126 | 0 | None | -1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)cc(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL291769 | 100126 | 0 | None | -1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)cc(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
10810527 | 100107 | 0 | None | 2 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccncc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL291588 | 100107 | 0 | None | 2 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccncc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
11315660 | 167425 | 0 | None | 6 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL431943 | 167425 | 0 | None | 6 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
100 | 3745 | 52 | None | -1 | 55 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
2637 | 3745 | 52 | None | -1 | 55 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
5452 | 3745 | 52 | None | -1 | 55 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
CHEMBL479 | 3745 | 52 | None | -1 | 55 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
DB00679 | 3745 | 52 | None | -1 | 55 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
11154198 | 199929 | 0 | None | -5 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 3.3 | CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
CHEMBL60583 | 199929 | 0 | None | -5 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 3.3 | CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
52946023 | 17732 | 0 | None | -4 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 7 | 2 | 4 | 3.6 | CC(=O)NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | ||
CHEMBL1259187 | 17732 | 0 | None | -4 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 7 | 2 | 4 | 3.6 | CC(=O)NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | ||
9822477 | 197771 | 0 | None | 23 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | ||
CHEMBL59149 | 197771 | 0 | None | 23 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | ||
11081136 | 203515 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 467 | 8 | 1 | 7 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL78676 | 203515 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 467 | 8 | 1 | 7 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
1588 | 2294 | 24 | None | -30 | 43 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
28864 | 2294 | 24 | None | -30 | 43 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
43 | 2294 | 24 | None | -30 | 43 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
CHEMBL157138 | 2294 | 24 | None | -30 | 43 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
DB00589 | 2294 | 24 | None | -30 | 43 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
16041090 | 94949 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL256853 | 94949 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | ||
10310103 | 106828 | 0 | None | -5 | 9 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 425 | 5 | 0 | 5 | 5.3 | N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | ||
CHEMBL317333 | 106828 | 0 | None | -5 | 9 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 425 | 5 | 0 | 5 | 5.3 | N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | ||
10394346 | 16782 | 0 | None | -16 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 638 | 11 | 2 | 10 | 3.0 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C(N)=O)CC3)cccc2c1=O | 10.1021/jm030825u | ||
CHEMBL125365 | 16782 | 0 | None | -16 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 638 | 11 | 2 | 10 | 3.0 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C(N)=O)CC3)cccc2c1=O | 10.1021/jm030825u | ||
46881382 | 7243 | 0 | None | -158 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 9 | 1 | 5 | 5.4 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)S1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL1086156 | 7243 | 0 | None | -158 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 9 | 1 | 5 | 5.4 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)S1 | 10.1016/j.bmcl.2010.01.030 | ||
118716706 | 114501 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 451 | 5 | 0 | 6 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342859 | 114501 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 451 | 5 | 0 | 6 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
56961507 | 120928 | 0 | None | -4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
CHEMBL3582271 | 120928 | 0 | None | -4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
10649481 | 205091 | 0 | None | -1230 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | ||
CHEMBL90420 | 205091 | 0 | None | -1230 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | ||
44331079 | 4253 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 5.3 | C1=CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL100878 | 4253 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 5.3 | C1=CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
44462130 | 203621 | 0 | None | -45 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00451-x | ||
CHEMBL79532 | 203621 | 0 | None | -45 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00451-x | ||
118717456 | 114638 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343977 | 114638 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
9895338 | 94009 | 0 | None | -309 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C(=C(\O)OC)C(C)=N1 | 10.1021/jm960697s | ||
CHEMBL25121 | 94009 | 0 | None | -309 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C(=C(\O)OC)C(C)=N1 | 10.1021/jm960697s | ||
118717456 | 114638 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343977 | 114638 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
44417715 | 11733 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
CHEMBL1182160 | 11733 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
CHEMBL215857 | 11733 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
11301627 | 9308 | 0 | None | -1 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
CHEMBL111537 | 9308 | 0 | None | -1 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
11301627 | 9308 | 0 | None | -1 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL111537 | 9308 | 0 | None | -1 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
11429464 | 100542 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 398 | 7 | 1 | 4 | 3.7 | O=C1CC2(CCCC2)CC(=O)N1CCNCCOc1cc(Cl)ccc1Cl | 10.1021/jm030944+ | ||
CHEMBL294479 | 100542 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 398 | 7 | 1 | 4 | 3.7 | O=C1CC2(CCCC2)CC(=O)N1CCNCCOc1cc(Cl)ccc1Cl | 10.1021/jm030944+ | ||
136806218 | 112181 | 0 | None | -331 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 682 | 15 | 4 | 9 | 3.9 | COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1 | 10.1016/s0960-894x(99)00484-9 | ||
44328754 | 112181 | 0 | None | -331 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 682 | 15 | 4 | 9 | 3.9 | COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL330401 | 112181 | 0 | None | -331 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 682 | 15 | 4 | 9 | 3.9 | COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1 | 10.1016/s0960-894x(99)00484-9 | ||
489 | 145 | 22 | None | -22 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
5640 | 145 | 22 | None | -22 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
CHEMBL420060 | 145 | 22 | None | -22 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
10554140 | 118612 | 0 | None | -104 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 527 | 7 | 2 | 6 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL342731 | 118612 | 0 | None | -104 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 527 | 7 | 2 | 6 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
2470 | 3596 | 46 | None | -389 | 59 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
3300 | 3596 | 46 | None | -389 | 59 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
5265 | 3596 | 46 | None | -389 | 59 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
99 | 3596 | 46 | None | -389 | 59 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
CHEMBL267930 | 3596 | 46 | None | -389 | 59 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
9960497 | 100010 | 0 | None | -645 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
CHEMBL290860 | 100010 | 0 | None | -645 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
19085894 | 203847 | 0 | None | -87 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 533 | 7 | 0 | 9 | 2.3 | CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)C2=O | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL81173 | 203847 | 0 | None | -87 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 533 | 7 | 0 | 9 | 2.3 | CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)C2=O | 10.1016/s0960-894x(98)00446-6 | ||
10721476 | 36768 | 0 | None | -691 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL145170 | 36768 | 0 | None | -691 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
44362633 | 121033 | 0 | None | -138 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL358590 | 121033 | 0 | None | -138 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
10026936 | 162906 | 0 | None | -204 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL41994 | 162906 | 0 | None | -204 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
118717457 | 114639 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343978 | 114639 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
11994915 | 11727 | 0 | None | -2 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182145 | 11727 | 0 | None | -2 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL214762 | 11727 | 0 | None | -2 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
134153527 | 151905 | 0 | None | -9 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 307 | 6 | 1 | 4 | 3.4 | c1ccc(OCCNCC2CSC3(CCCCC3)O2)cc1 | 10.1016/j.ejmech.2016.09.050 | ||
CHEMBL3970754 | 151905 | 0 | None | -9 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 307 | 6 | 1 | 4 | 3.4 | c1ccc(OCCNCC2CSC3(CCCCC3)O2)cc1 | 10.1016/j.ejmech.2016.09.050 | ||
9922027 | 114911 | 0 | None | -1 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL3350265 | 114911 | 0 | None | -1 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | ||
118717457 | 114639 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343978 | 114639 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
10791844 | 205428 | 0 | None | -1258 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 511 | 7 | 3 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
CHEMBL92328 | 205428 | 0 | None | -1258 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 511 | 7 | 3 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
76315668 | 84911 | 0 | None | -36 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 323 | 4 | 3 | 5 | 1.6 | CCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
CHEMBL2261347 | 84911 | 0 | None | -36 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 323 | 4 | 3 | 5 | 1.6 | CCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
9798183 | 13029 | 0 | None | -34 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
CHEMBL1190579 | 13029 | 0 | None | -34 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
CHEMBL541129 | 13029 | 0 | None | -34 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
44431594 | 87591 | 0 | None | -21 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234422 | 87591 | 0 | None | -21 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
44431555 | 88733 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL236618 | 88733 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
44433348 | 166795 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL429453 | 166795 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | ||
10506729 | 202004 | 0 | None | -53 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 544 | 9 | 1 | 6 | 4.4 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL67552 | 202004 | 0 | None | -53 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 544 | 9 | 1 | 6 | 4.4 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
1960 | 2815 | 64 | None | -21 | 26 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
439260 | 2815 | 64 | None | -21 | 26 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
505 | 2815 | 64 | None | -21 | 26 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
CHEMBL1437 | 2815 | 64 | None | -21 | 26 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
DB00368 | 2815 | 64 | None | -21 | 26 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
44417713 | 12316 | 0 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1185884 | 12316 | 0 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL439346 | 12316 | 0 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
11133868 | 154803 | 0 | None | -9 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
CHEMBL40325 | 154803 | 0 | None | -9 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
127040157 | 136404 | 0 | None | -7 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
CHEMBL3739897 | 136404 | 0 | None | -7 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
CHEMBL3742490 | 136404 | 0 | None | -7 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
118716705 | 114500 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 424 | 5 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342858 | 114500 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 424 | 5 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
10815549 | 121500 | 0 | None | -549 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 509 | 9 | 0 | 5 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL359421 | 121500 | 0 | None | -549 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 509 | 9 | 0 | 5 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
11800744 | 205600 | 0 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 547 | 7 | 3 | 4 | 4.4 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
CHEMBL93523 | 205600 | 0 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 547 | 7 | 3 | 4 | 4.4 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
10507129 | 121459 | 0 | None | -27 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm990200p | ||
CHEMBL359173 | 121459 | 0 | None | -27 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm990200p | ||
10414908 | 201076 | 0 | None | -457 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 539 | 7 | 0 | 4 | 5.9 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
CHEMBL62045 | 201076 | 0 | None | -457 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 539 | 7 | 0 | 4 | 5.9 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
10839825 | 205014 | 0 | None | -5623 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
CHEMBL89965 | 205014 | 0 | None | -5623 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
1028 | 287 | 69 | None | -8 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
139148732 | 287 | 69 | None | -8 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
479 | 287 | 69 | None | -8 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
5816 | 287 | 69 | None | -8 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
CHEMBL679 | 287 | 69 | None | -8 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
DB00668 | 287 | 69 | None | -8 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
10859076 | 13570 | 0 | None | -3 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1194763 | 13570 | 0 | None | -3 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL553276 | 13570 | 0 | None | -3 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
9894818 | 98468 | 0 | None | -138 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL279436 | 98468 | 0 | None | -138 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
10221004 | 202530 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70973 | 202530 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
19085832 | 163224 | 0 | None | -11 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 483 | 6 | 0 | 7 | 3.5 | Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL420578 | 163224 | 0 | None | -11 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 483 | 6 | 0 | 7 | 3.5 | Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | ||
10643994 | 76903 | 0 | None | -2 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
CHEMBL2079655 | 76903 | 0 | None | -2 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
10698974 | 90691 | 0 | None | -117 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 610 | 5 | 1 | 7 | 4.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL239806 | 90691 | 0 | None | -117 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 610 | 5 | 1 | 7 | 4.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
44362633 | 121033 | 0 | None | -138 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL358590 | 121033 | 0 | None | -138 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
49783209 | 17427 | 0 | None | -3981 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
CHEMBL1258223 | 17427 | 0 | None | -3981 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
118717461 | 114645 | 0 | None | -6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343983 | 114645 | 0 | None | -6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
118717461 | 114645 | 0 | None | -6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343983 | 114645 | 0 | None | -6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
11857709 | 85212 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
11857709 | 85212 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL228389 | 85212 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228389 | 85212 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
59151543 | 139056 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 295 | 3 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccc(Cl)cc1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3797369 | 139056 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 295 | 3 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccc(Cl)cc1 | 10.1021/acs.jmedchem.5b01528 | ||
12134996 | 202388 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 385 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL70178 | 202388 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 385 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
11268507 | 194919 | 0 | None | 2 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 363 | 4 | 0 | 4 | 2.6 | CC1(C)CC(=O)N(CCN2CCN(c3ccccc3Cl)CC2)C(=O)C1 | 10.1021/jm030944+ | ||
CHEMBL56403 | 194919 | 0 | None | 2 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 363 | 4 | 0 | 4 | 2.6 | CC1(C)CC(=O)N(CCN2CCN(c3ccccc3Cl)CC2)C(=O)C1 | 10.1021/jm030944+ | ||
118716720 | 114516 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 425 | 5 | 0 | 7 | 1.0 | COc1ccccc1N1CCN(CC2COC3(CCN(S(C)(=O)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342873 | 114516 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 425 | 5 | 0 | 7 | 1.0 | COc1ccccc1N1CCN(CC2COC3(CCN(S(C)(=O)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
9959689 | 101343 | 0 | None | -281 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
CHEMBL300222 | 101343 | 0 | None | -281 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
10792591 | 205096 | 0 | None | -104 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.7 | CC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | ||
CHEMBL90453 | 205096 | 0 | None | -104 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.7 | CC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | ||
10769037 | 36977 | 0 | None | -70 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL145332 | 36977 | 0 | None | -70 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
10769058 | 165126 | 0 | None | -208 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 552 | 6 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL424494 | 165126 | 0 | None | -208 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 552 | 6 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
44288841 | 100670 | 0 | None | -26 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL295304 | 100670 | 0 | None | -26 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
44288794 | 161527 | 0 | None | -45 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 8 | 1 | 3 | 5.0 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL416073 | 161527 | 0 | None | -45 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 8 | 1 | 3 | 5.0 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
71062646 | 149011 | 0 | None | -3801 | 13 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 338 | 6 | 0 | 4 | 2.8 | c1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1 | nan | ||
CHEMBL3946661 | 149011 | 0 | None | -3801 | 13 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 338 | 6 | 0 | 4 | 2.8 | c1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1 | nan | ||
3952 | 1857 | 33 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5353646 | 1857 | 33 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5443 | 1857 | 33 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
5702063 | 1857 | 33 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL1331786 | 1857 | 33 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
CHEMBL420 | 1857 | 33 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
3652 | 45983 | 62 | None | 1 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | nan | ||
CHEMBL1535 | 45983 | 62 | None | 1 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | nan | ||
9947861 | 202461 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70634 | 202461 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
3086326 | 202826 | 17 | None | -64 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72753 | 202826 | 17 | None | -64 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
44431560 | 88734 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL236621 | 88734 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
44431607 | 147062 | 0 | None | -42 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL393105 | 147062 | 0 | None | -42 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
44431560 | 88734 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL236621 | 88734 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
134551 | 355 | 25 | None | -10 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
271 | 355 | 25 | None | -10 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
885 | 355 | 25 | None | -10 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
CHEMBL1403281 | 355 | 25 | None | -10 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
1043 | 1552 | 13 | None | -263 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
149 | 1552 | 13 | None | -263 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
8223 | 1552 | 13 | None | -263 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
CHEMBL442 | 1552 | 13 | None | -263 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
DB00696 | 1552 | 13 | None | -263 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
44331150 | 4364 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 530 | 6 | 1 | 7 | 4.4 | Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc45)CC2)O3)c1 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL101579 | 4364 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 530 | 6 | 1 | 7 | 4.4 | Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc45)CC2)O3)c1 | 10.1016/s0960-894x(98)00732-x | ||
11211017 | 196557 | 0 | None | -1 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/jm030944+ | ||
CHEMBL57546 | 196557 | 0 | None | -1 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/jm030944+ | ||
44431551 | 86783 | 0 | None | -33 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL232780 | 86783 | 0 | None | -33 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
11282574 | 37499 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccccc1C(F)(F)F)C3 | 10.1021/jm030952q | ||
CHEMBL145785 | 37499 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccccc1C(F)(F)F)C3 | 10.1021/jm030952q | ||
10767264 | 205266 | 0 | None | -616 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 7 | 3 | 3 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
CHEMBL91405 | 205266 | 0 | None | -616 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 7 | 3 | 3 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
10815593 | 205310 | 0 | None | -1995 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
CHEMBL91616 | 205310 | 0 | None | -1995 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
10696866 | 205206 | 0 | None | -15135 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 504 | 7 | 3 | 5 | 3.1 | N#Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
CHEMBL91091 | 205206 | 0 | None | -15135 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 504 | 7 | 3 | 5 | 3.1 | N#Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
44288995 | 162334 | 0 | None | -100 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL417350 | 162334 | 0 | None | -100 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
1016 | 3690 | 75 | None | -22 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2561 | 3690 | 75 | None | -22 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2733526 | 3690 | 75 | None | -22 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
5384 | 3690 | 75 | None | -22 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL83 | 3690 | 75 | None | -22 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
DB00675 | 3690 | 75 | None | -22 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
10950355 | 112104 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 445 | 7 | 2 | 5 | 3.3 | CCCCc1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL330198 | 112104 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 445 | 7 | 2 | 5 | 3.3 | CCCCc1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | ||
136680383 | 167439 | 0 | None | -144 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44328800 | 167439 | 0 | None | -144 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL432026 | 167439 | 0 | None | -144 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
19085876 | 204100 | 0 | None | -301 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL83272 | 204100 | 0 | None | -301 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
18738386 | 202340 | 0 | None | -125 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 413 | 7 | 0 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL69848 | 202340 | 0 | None | -125 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 413 | 7 | 0 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
16041449 | 94776 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL256040 | 94776 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
49781680 | 17703 | 0 | None | -25 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(C)c1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
CHEMBL1259097 | 17703 | 0 | None | -25 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(C)c1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
14378574 | 108100 | 0 | None | 4 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21 | 10.1021/jm0307741 | ||
CHEMBL320397 | 108100 | 0 | None | 4 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21 | 10.1021/jm0307741 | ||
10673466 | 161215 | 0 | None | 3 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL41396 | 161215 | 0 | None | 3 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
9981635 | 36679 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3 | 10.1021/jm030952q | ||
CHEMBL145098 | 36679 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3 | 10.1021/jm030952q | ||
CHEMBL2112853 | 36679 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3 | 10.1021/jm030952q | ||
9872851 | 96638 | 1 | None | -125 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 10 | 1 | 7 | 4.6 | COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O | 10.1021/jm960697s | ||
CHEMBL267336 | 96638 | 1 | None | -125 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 10 | 1 | 7 | 4.6 | COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O | 10.1021/jm960697s | ||
155567201 | 175654 | 0 | None | -15 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4588223 | 175654 | 0 | None | -15 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4594654 | 175654 | 0 | None | -15 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 | 10.1016/j.ejmech.2019.05.024 | ||
71521479 | 85832 | 0 | None | -81 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
CHEMBL2312536 | 85832 | 0 | None | -81 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
118716699 | 114333 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 4 | 0 | 6 | 1.7 | COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3341769 | 114333 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 4 | 0 | 6 | 1.7 | COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
44298650 | 162605 | 0 | None | -100 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(F)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL417954 | 162605 | 0 | None | -100 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(F)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
9891937 | 193080 | 0 | None | -31 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 458 | 8 | 1 | 6 | 2.4 | CCc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL53675 | 193080 | 0 | None | -31 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 458 | 8 | 1 | 6 | 2.4 | CCc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
46881493 | 6910 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.3 | Cc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL1084658 | 6910 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.3 | Cc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
10739024 | 69490 | 0 | None | -10 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
CHEMBL19376 | 69490 | 0 | None | -10 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
59151572 | 139355 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 3 | 2 | 4 | 1.2 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cccnc1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799335 | 139355 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 3 | 2 | 4 | 1.2 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cccnc1 | 10.1021/acs.jmedchem.5b01528 | ||
10626493 | 205655 | 0 | None | -831 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 550 | 7 | 1 | 5 | 4.0 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C1=O | 10.1021/jm990612y | ||
CHEMBL93843 | 205655 | 0 | None | -831 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 550 | 7 | 1 | 5 | 4.0 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C1=O | 10.1021/jm990612y | ||
9985476 | 37053 | 0 | None | -1584 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL145394 | 37053 | 0 | None | -1584 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
10651636 | 37628 | 0 | None | -4168 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 630 | 8 | 2 | 5 | 6.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL145894 | 37628 | 0 | None | -4168 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 630 | 8 | 2 | 5 | 6.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
44288816 | 154772 | 0 | None | -40 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 443 | 8 | 1 | 3 | 5.4 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL40303 | 154772 | 0 | None | -40 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 443 | 8 | 1 | 3 | 5.4 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
9815005 | 109173 | 0 | None | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
CHEMBL322492 | 109173 | 0 | None | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
9815005 | 109173 | 0 | None | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL322492 | 109173 | 0 | None | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
18738380 | 11836 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 417 | 9 | 1 | 6 | 1.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
CHEMBL11828 | 11836 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 417 | 9 | 1 | 6 | 1.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
92766 | 106060 | 30 | None | -2 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
CHEMBL31410 | 106060 | 30 | None | -2 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
1531 | 2235 | 64 | None | -14 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
3869 | 2235 | 64 | None | -14 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
7207 | 2235 | 64 | None | -14 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
CHEMBL429 | 2235 | 64 | None | -14 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
DB00598 | 2235 | 64 | None | -14 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
11857791 | 85213 | 0 | None | -12 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228390 | 85213 | 0 | None | -12 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | ||
1201549 | 590 | 22 | None | -12 | 20 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
333 | 590 | 22 | None | -12 | 20 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
7601 | 590 | 22 | None | -12 | 20 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1201203 | 590 | 22 | None | -12 | 20 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL438151 | 590 | 22 | None | -12 | 20 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
DB00245 | 590 | 22 | None | -12 | 20 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
59151614 | 139381 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 304 | 4 | 3 | 4 | 0.9 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cccc(C(N)=O)c1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799486 | 139381 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 304 | 4 | 3 | 4 | 0.9 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cccc(C(N)=O)c1 | 10.1021/acs.jmedchem.5b01528 | ||
44222842 | 193422 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
CHEMBL549764 | 193422 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
118716716 | 114512 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 7 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342869 | 114512 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 7 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
16041628 | 154811 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL403280 | 154811 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
9824384 | 118282 | 1 | None | -7 | 8 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
CHEMBL342062 | 118282 | 1 | None | -7 | 8 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
44428850 | 91863 | 0 | None | -4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 4 | 1 | 8 | 2.9 | COc1cc2nc(N3CCN(C(=O)c4ccccn4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL242725 | 91863 | 0 | None | -4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 4 | 1 | 8 | 2.9 | COc1cc2nc(N3CCN(C(=O)c4ccccn4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
118716710 | 114506 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCN4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342863 | 114506 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCN4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
9890459 | 16750 | 0 | None | -13 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 460 | 10 | 1 | 7 | 1.3 | CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(c2ccccc2OC(C)C)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
CHEMBL12529 | 16750 | 0 | None | -13 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 460 | 10 | 1 | 7 | 1.3 | CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(c2ccccc2OC(C)C)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
10840194 | 111336 | 0 | None | -1862 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 541 | 9 | 3 | 5 | 3.6 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
CHEMBL328763 | 111336 | 0 | None | -1862 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 541 | 9 | 3 | 5 | 3.6 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
10369288 | 205527 | 0 | None | -1096 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 9 | 3 | 4 | 3.7 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
CHEMBL92951 | 205527 | 0 | None | -1096 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 9 | 3 | 4 | 3.7 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
10627090 | 34338 | 0 | None | -2630 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 581 | 9 | 2 | 7 | 3.8 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL142929 | 34338 | 0 | None | -2630 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 581 | 9 | 2 | 7 | 3.8 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
10555223 | 36894 | 0 | None | -263 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 579 | 9 | 3 | 8 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | ||
CHEMBL145267 | 36894 | 0 | None | -263 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 579 | 9 | 3 | 8 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | ||
10026936 | 162906 | 0 | None | -204 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL41994 | 162906 | 0 | None | -204 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
12134994 | 162756 | 0 | None | 2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 316 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL418882 | 162756 | 0 | None | 2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 316 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
10764133 | 84149 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153560 | 84149 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2220899 | 84149 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
10199335 | 203039 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL74467 | 203039 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
131829 | 203020 | 11 | None | -416 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL74283 | 203020 | 11 | None | -416 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
10267873 | 110171 | 0 | None | -5 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1007/s00044-004-0020-z | ||
CHEMBL325897 | 110171 | 0 | None | -5 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1007/s00044-004-0020-z | ||
9796526 | 109396 | 0 | None | -6 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | Cc1ccc(NS(C)(=O)=O)c2c1C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | ||
CHEMBL323440 | 109396 | 0 | None | -6 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | Cc1ccc(NS(C)(=O)=O)c2c1C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | ||
10267873 | 110171 | 0 | None | -5 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1021/jm030551a | ||
CHEMBL325897 | 110171 | 0 | None | -5 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1021/jm030551a | ||
44431548 | 86623 | 0 | None | -26 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL232593 | 86623 | 0 | None | -26 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
56649648 | 67513 | 0 | None | -81 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 474 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
CHEMBL1910139 | 67513 | 0 | None | -81 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 474 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
122179431 | 120929 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
CHEMBL3582272 | 120929 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
10603030 | 205730 | 0 | None | -64 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 565 | 7 | 3 | 4 | 4.5 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
CHEMBL94259 | 205730 | 0 | None | -64 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 565 | 7 | 3 | 4 | 4.5 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
10627279 | 36982 | 0 | None | -128 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 592 | 9 | 3 | 8 | 3.0 | CNC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
CHEMBL145334 | 36982 | 0 | None | -128 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 592 | 9 | 3 | 8 | 3.0 | CNC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
44289034 | 165400 | 0 | None | -794 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2cccc(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL42514 | 165400 | 0 | None | -794 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2cccc(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
12134986 | 163842 | 0 | None | -70 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
CHEMBL421324 | 163842 | 0 | None | -70 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
132060812 | 161487 | 0 | None | -724 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4160064 | 161487 | 0 | None | -724 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
16215415 | 186749 | 1 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 471 | 9 | 2 | 3 | 3.8 | CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br | 10.1021/np800339e | ||
CHEMBL493091 | 186749 | 1 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 471 | 9 | 2 | 3 | 3.8 | CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br | 10.1021/np800339e | ||
9838192 | 110824 | 13 | None | -2 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | ||
CHEMBL326702 | 110824 | 13 | None | -2 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | ||
9838192 | 110824 | 13 | None | -2 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm030551a | ||
CHEMBL326702 | 110824 | 13 | None | -2 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm030551a | ||
19085827 | 104384 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL311014 | 104384 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
136806214 | 206388 | 0 | None | -60 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 633 | 15 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44329028 | 206388 | 0 | None | -60 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 633 | 15 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL98038 | 206388 | 0 | None | -60 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 633 | 15 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44312037 | 202913 | 1 | None | -2 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL73392 | 202913 | 1 | None | -2 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
10721568 | 202152 | 0 | None | -32 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 2.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL68604 | 202152 | 0 | None | -32 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 2.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
10698570 | 118253 | 0 | None | -562 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL341849 | 118253 | 0 | None | -562 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
145958538 | 161715 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
CHEMBL4163810 | 161715 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
118716708 | 114504 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 441 | 5 | 0 | 7 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342861 | 114504 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 441 | 5 | 0 | 7 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
11995034 | 11728 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182148 | 11728 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL214952 | 11728 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
11339351 | 195635 | 0 | None | -7 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 427 | 6 | 0 | 6 | 2.7 | CCOC(=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
CHEMBL56878 | 195635 | 0 | None | -7 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 427 | 6 | 0 | 6 | 2.7 | CCOC(=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
9838192 | 110824 | 13 | None | -2 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | ||
CHEMBL326702 | 110824 | 13 | None | -2 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | ||
10382537 | 202465 | 11 | None | -41 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL70676 | 202465 | 11 | None | -41 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
11811395 | 202995 | 0 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 5 | 2 | 5 | 1.3 | CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL74071 | 202995 | 0 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 5 | 2 | 5 | 1.3 | CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
44318075 | 203655 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 460 | 7 | 0 | 6 | 4.7 | O=C1CCCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
CHEMBL79817 | 203655 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 460 | 7 | 0 | 6 | 4.7 | O=C1CCCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
10506222 | 110998 | 0 | None | -691 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.5 | COCC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
CHEMBL327716 | 110998 | 0 | None | -691 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.5 | COCC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
9905391 | 108998 | 0 | None | -6 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 3 | 2 | 3 | 2.9 | CS(=O)(=O)Nc1ccc(Cl)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL322082 | 108998 | 0 | None | -6 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 3 | 2 | 3 | 2.9 | CS(=O)(=O)Nc1ccc(Cl)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
102 | 4064 | 44 | None | -363 | 49 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
3659 | 4064 | 44 | None | -363 | 49 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
8969 | 4064 | 44 | None | -363 | 49 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
CHEMBL15245 | 4064 | 44 | None | -363 | 49 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
DB01392 | 4064 | 44 | None | -363 | 49 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
16041264 | 94999 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL257077 | 94999 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
155529118 | 175990 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4462768 | 175990 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4597358 | 175990 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
11281688 | 195591 | 0 | None | 7 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2c(Cl)cccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL56851 | 195591 | 0 | None | 7 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2c(Cl)cccc2Cl)CC1 | 10.1021/jm030944+ | ||
10092649 | 192471 | 51 | None | -26 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | ||
CHEMBL522460 | 192471 | 51 | None | -26 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | ||
10674333 | 37261 | 0 | None | -407 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 554 | 8 | 3 | 6 | 2.9 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL145574 | 37261 | 0 | None | -407 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 554 | 8 | 3 | 6 | 2.9 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
9916549 | 121050 | 0 | None | -1023 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
CHEMBL358595 | 121050 | 0 | None | -1023 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
44289058 | 164793 | 0 | None | -39 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 403 | 8 | 1 | 3 | 4.5 | CC(C)C(C(=O)NCCCN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL42361 | 164793 | 0 | None | -39 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 403 | 8 | 1 | 3 | 4.5 | CC(C)C(C(=O)NCCCN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00307-3 | ||
73213196 | 103981 | 1 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
CHEMBL3104093 | 103981 | 1 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
73213196 | 103981 | 1 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104093 | 103981 | 1 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
73213196 | 103981 | 1 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104093 | 103981 | 1 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
44417709 | 12314 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
CHEMBL1185857 | 12314 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
CHEMBL436955 | 12314 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
145962085 | 161452 | 0 | None | -6 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
CHEMBL4159468 | 161452 | 0 | None | -6 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
10804826 | 23412 | 1 | None | -3 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | ||
CHEMBL133451 | 23412 | 1 | None | -3 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | ||
11857791 | 168431 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL439197 | 168431 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | ||
16041263 | 95003 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL257098 | 95003 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
9982050 | 101464 | 0 | None | -2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 467 | 6 | 1 | 9 | 2.5 | COc1ccccc1N1CCN(CCNc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)CC1 | 10.1021/jm981006q | ||
CHEMBL301078 | 101464 | 0 | None | -2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 467 | 6 | 1 | 9 | 2.5 | COc1ccccc1N1CCN(CCNc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)CC1 | 10.1021/jm981006q | ||
134152568 | 152553 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.8 | COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1 | 10.1016/j.ejmech.2016.06.052 | ||
CHEMBL3976144 | 152553 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.8 | COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1 | 10.1016/j.ejmech.2016.06.052 | ||
10973768 | 107074 | 0 | None | -7 | 10 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 563 | 6 | 1 | 8 | 4.4 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
CHEMBL318901 | 107074 | 0 | None | -7 | 10 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 563 | 6 | 1 | 8 | 4.4 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
10511224 | 59015 | 6 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 164 | 2 | 1 | 2 | 2.1 | c1nc(Cc2ccsc2)c[nH]1 | 10.1021/jm0003891 | ||
CHEMBL170614 | 59015 | 6 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 164 | 2 | 1 | 2 | 2.1 | c1nc(Cc2ccsc2)c[nH]1 | 10.1021/jm0003891 | ||
CHEMBL1744292 | 59015 | 6 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 164 | 2 | 1 | 2 | 2.1 | c1nc(Cc2ccsc2)c[nH]1 | 10.1021/jm0003891 | ||
9909471 | 195231 | 0 | None | 17 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL56620 | 195231 | 0 | None | 17 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
11303180 | 196549 | 0 | None | 1 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 5 | 0 | 4 | 3.1 | COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
CHEMBL57540 | 196549 | 0 | None | 1 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 5 | 0 | 4 | 3.1 | COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
115 | 340 | 66 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | ||
2092 | 340 | 66 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | ||
7109 | 340 | 66 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | ||
CHEMBL709 | 340 | 66 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | ||
DB00346 | 340 | 66 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | ||
126225 | 94535 | 4 | None | 1 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm960697s | ||
CHEMBL25467 | 94535 | 4 | None | 1 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm960697s | ||
44431546 | 87714 | 0 | None | -4 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234680 | 87714 | 0 | None | -4 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
11014848 | 203414 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 399 | 7 | 1 | 8 | 1.5 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL77901 | 203414 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 399 | 7 | 1 | 8 | 1.5 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
9824384 | 118282 | 1 | None | -2 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
CHEMBL342062 | 118282 | 1 | None | -2 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
90645594 | 111994 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 4.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298747 | 111994 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 4.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
10252540 | 84933 | 1 | None | -15 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL2261604 | 84933 | 1 | None | -15 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
132266 | 1252 | 9 | None | -11 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
486 | 1252 | 9 | None | -11 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL423294 | 1252 | 9 | None | -11 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
44428851 | 91886 | 0 | None | -6 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 447 | 4 | 1 | 7 | 3.5 | COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL242934 | 91886 | 0 | None | -6 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 447 | 4 | 1 | 7 | 3.5 | COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
132266 | 1252 | 9 | None | -11 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
486 | 1252 | 9 | None | -11 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL423294 | 1252 | 9 | None | -11 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
25181489 | 186774 | 0 | None | -3 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | ||
CHEMBL493285 | 186774 | 0 | None | -3 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | ||
9929277 | 100509 | 0 | None | 16 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.7 | O=C1CCCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL294235 | 100509 | 0 | None | 16 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.7 | O=C1CCCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
10552608 | 99952 | 0 | None | -8 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)c(C)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL290243 | 99952 | 0 | None | -8 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)c(C)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
44431551 | 86782 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL232779 | 86782 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
90645603 | 111944 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 567 | 8 | 1 | 8 | 4.9 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298021 | 111944 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 567 | 8 | 1 | 8 | 4.9 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
11994665 | 11729 | 0 | None | -3 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182151 | 11729 | 0 | None | -3 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL215151 | 11729 | 0 | None | -3 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
44431555 | 88732 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL236617 | 88732 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
3584 | 3718 | 60 | None | -1 | 14 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
5401 | 3718 | 60 | None | -1 | 14 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
7302 | 3718 | 60 | None | -1 | 14 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
58150016 | 139541 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | CC(c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3800470 | 139541 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | CC(c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
136 | 3240 | 28 | None | -144 | 16 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
223 | 3240 | 28 | None | -144 | 16 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
643606 | 3240 | 28 | None | -144 | 16 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
CHEMBL10347 | 3240 | 28 | None | -144 | 16 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
115 | 340 | 66 | None | -1 | 7 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
2092 | 340 | 66 | None | -1 | 7 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
7109 | 340 | 66 | None | -1 | 7 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
CHEMBL709 | 340 | 66 | None | -1 | 7 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
DB00346 | 340 | 66 | None | -1 | 7 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | ||
11039289 | 116340 | 0 | None | -37 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 600 | 13 | 1 | 9 | 4.7 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O | 10.1021/jm030825u | ||
CHEMBL338029 | 116340 | 0 | None | -37 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 600 | 13 | 1 | 9 | 4.7 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O | 10.1021/jm030825u | ||
115 | 340 | 66 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
2092 | 340 | 66 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
7109 | 340 | 66 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
CHEMBL709 | 340 | 66 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
DB00346 | 340 | 66 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
44431616 | 87648 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234649 | 87648 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
49781448 | 17668 | 0 | None | -6 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 406 | 2 | 0 | 4 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)s1 | 10.1021/jm100652h | ||
CHEMBL1259005 | 17668 | 0 | None | -6 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 406 | 2 | 0 | 4 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)s1 | 10.1021/jm100652h | ||
10678895 | 58564 | 4 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1ccc(Cc2c[nH]cn2)s1 | 10.1021/jm0003891 | ||
CHEMBL1203847 | 58564 | 4 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1ccc(Cc2c[nH]cn2)s1 | 10.1021/jm0003891 | ||
CHEMBL168865 | 58564 | 4 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1ccc(Cc2c[nH]cn2)s1 | 10.1021/jm0003891 | ||
107715 | 199260 | 18 | None | -13 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
CHEMBL1255837 | 199260 | 18 | None | -13 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
CHEMBL601773 | 199260 | 18 | None | -13 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
11133288 | 165480 | 0 | None | -9 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
CHEMBL42558 | 165480 | 0 | None | -9 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
25131198 | 85833 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL2312537 | 85833 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.02.056 | ||
76308474 | 105753 | 0 | None | -4 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | ||
CHEMBL2261607 | 105753 | 0 | None | -4 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | ||
CHEMBL3138856 | 105753 | 0 | None | -4 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | ||
44428846 | 91757 | 0 | None | -4 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL242508 | 91757 | 0 | None | -4 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | ||
25181489 | 186774 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm800461k | ||
CHEMBL493285 | 186774 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm800461k | ||
25131198 | 85833 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | ||
CHEMBL2312537 | 85833 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | ||
11348796 | 100263 | 4 | None | 7 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 354 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2)CC1 | 10.1021/jm030944+ | ||
CHEMBL292686 | 100263 | 4 | None | 7 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 354 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2)CC1 | 10.1021/jm030944+ | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
57929587 | 139455 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 338 | 4 | 3 | 4 | 1.5 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cc(Cl)cc(C(N)=O)c1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799912 | 139455 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 338 | 4 | 3 | 4 | 1.5 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cc(Cl)cc(C(N)=O)c1 | 10.1021/acs.jmedchem.5b01528 | ||
16041449 | 94776 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL256040 | 94776 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
9877827 | 120236 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 2.9 | c1nc(Cc2cc3c(s2)CCCC3)c[nH]1 | 10.1021/jm0003891 | ||
CHEMBL1203856 | 120236 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 2.9 | c1nc(Cc2cc3c(s2)CCCC3)c[nH]1 | 10.1021/jm0003891 | ||
CHEMBL355043 | 120236 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 2.9 | c1nc(Cc2cc3c(s2)CCCC3)c[nH]1 | 10.1021/jm0003891 | ||
10606670 | 197414 | 0 | None | -14 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 465 | 6 | 0 | 8 | 2.4 | COc1cc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)n(C)c2cc1OC | 10.1021/jm000541z | ||
CHEMBL58862 | 197414 | 0 | None | -14 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 465 | 6 | 0 | 8 | 2.4 | COc1cc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)n(C)c2cc1OC | 10.1021/jm000541z | ||
52941004 | 16910 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 407 | 13 | 1 | 5 | 4.7 | CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1254914 | 16910 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 407 | 13 | 1 | 5 | 4.7 | CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
145953314 | 160882 | 0 | None | -4 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 441 | 7 | 1 | 7 | 3.8 | CCCCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4127078 | 160882 | 0 | None | -4 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 441 | 7 | 1 | 7 | 3.8 | CCCCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2018.05.023 | ||
9892644 | 195670 | 0 | None | 12 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 511 | 4 | 0 | 4 | 4.0 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1 | 10.1021/jm030944+ | ||
CHEMBL56899 | 195670 | 0 | None | 12 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 511 | 4 | 0 | 4 | 4.0 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1 | 10.1021/jm030944+ | ||
10813408 | 157808 | 0 | None | -2 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL40896 | 157808 | 0 | None | -2 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
10368033 | 99959 | 0 | None | -5 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL290387 | 99959 | 0 | None | -5 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
10368033 | 99959 | 0 | None | -5 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL290387 | 99959 | 0 | None | -5 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
45268939 | 194985 | 0 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL564481 | 194985 | 0 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
11441652 | 100465 | 0 | None | 3 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL293980 | 100465 | 0 | None | 3 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2Cl)CC1 | 10.1021/jm030944+ | ||
56946573 | 71182 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 4.9 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | ||
CHEMBL1946780 | 71182 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 4.9 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | ||
CHEMBL1962870 | 71182 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 4.9 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | ||
70820427 | 167098 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.4 | O=S1(=O)CCC(NCCOc2cc(F)ccc2Cl)c2ccccc21 | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4205740 | 167098 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.4 | O=S1(=O)CCC(NCCOc2cc(F)ccc2Cl)c2ccccc21 | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4301839 | 167098 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.4 | O=S1(=O)CCC(NCCOc2cc(F)ccc2Cl)c2ccccc21 | 10.1016/j.ejmech.2017.07.071 | ||
10348924 | 17763 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 620 | 10 | 1 | 10 | 3.8 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C#N)CC3)cccc2c1=O | 10.1021/jm030825u | ||
CHEMBL125989 | 17763 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 620 | 10 | 1 | 10 | 3.8 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C#N)CC3)cccc2c1=O | 10.1021/jm030825u | ||
10994812 | 203387 | 0 | None | -8 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 509 | 9 | 1 | 8 | 3.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL77618 | 203387 | 0 | None | -8 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 509 | 9 | 1 | 8 | 3.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
3157 | 1442 | 69 | None | -1 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | ||
7170 | 1442 | 69 | None | -1 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | ||
954 | 1442 | 69 | None | -1 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | ||
CHEMBL707 | 1442 | 69 | None | -1 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | ||
DB00590 | 1442 | 69 | None | -1 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | ||
52941624 | 16911 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 393 | 12 | 1 | 5 | 4.3 | COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1254915 | 16911 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 393 | 12 | 1 | 5 | 4.3 | COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
69781970 | 160804 | 0 | None | -10 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4125981 | 160804 | 0 | None | -10 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
71458492 | 84146 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153556 | 84146 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2220896 | 84146 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
44431547 | 87715 | 0 | None | -34 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234681 | 87715 | 0 | None | -34 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
1070749 | 139082 | 2 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 261 | 3 | 2 | 3 | 1.8 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3797529 | 139082 | 2 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 261 | 3 | 2 | 3 | 1.8 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | ||
10627155 | 36988 | 0 | None | -151 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 585 | 8 | 2 | 8 | 3.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL145338 | 36988 | 0 | None | -151 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 585 | 8 | 2 | 8 | 3.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
44431173 | 92370 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 519 | 5 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
CHEMBL243690 | 92370 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 519 | 5 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
155542075 | 176045 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.4 | c1ccc(OCCNCCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4520390 | 176045 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.4 | c1ccc(OCCNCCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4597826 | 176045 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.4 | c1ccc(OCCNCCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
53328316 | 63061 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 9 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796036 | 63061 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 9 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
10775000 | 106910 | 2 | None | -8 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 214 | 1 | 2 | 2 | 2.6 | Oc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL317912 | 106910 | 2 | None | -8 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 214 | 1 | 2 | 2 | 2.6 | Oc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
9900133 | 8897 | 0 | None | -33 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
CHEMBL109827 | 8897 | 0 | None | -33 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
9900133 | 8897 | 0 | None | -33 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL109827 | 8897 | 0 | None | -33 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
9796667 | 108978 | 0 | None | -9 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 2.4 | CS(=O)(=O)Nc1ccc(F)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL322042 | 108978 | 0 | None | -9 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 2.4 | CS(=O)(=O)Nc1ccc(F)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
11140345 | 202470 | 0 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70692 | 202470 | 0 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
10531766 | 205269 | 0 | None | -269 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
CHEMBL91415 | 205269 | 0 | None | -269 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
137640201 | 156419 | 2 | None | -239 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
CHEMBL4072818 | 156419 | 2 | None | -239 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
9960497 | 116574 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
CHEMBL3392246 | 116574 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
18738412 | 203698 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 365 | 6 | 1 | 6 | 3.3 | OCc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
CHEMBL80125 | 203698 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 365 | 6 | 1 | 6 | 3.3 | OCc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
15853467 | 206393 | 0 | None | -93 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL98063 | 206393 | 0 | None | -93 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | ||
151779 | 193037 | 1 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL533979 | 193037 | 1 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
44420418 | 83017 | 0 | None | 13 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 474 | 4 | 1 | 6 | 4.0 | O=c1[nH]c2c(sc3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
CHEMBL219718 | 83017 | 0 | None | 13 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 474 | 4 | 1 | 6 | 4.0 | O=c1[nH]c2c(sc3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
151779 | 193037 | 1 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL533979 | 193037 | 1 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
44431564 | 87214 | 0 | None | -34 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL233623 | 87214 | 0 | None | -34 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
44300087 | 95974 | 0 | None | -67 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL262002 | 95974 | 0 | None | -67 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
10530552 | 33026 | 0 | None | -51 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 543 | 7 | 3 | 7 | 3.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL141821 | 33026 | 0 | None | -51 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 543 | 7 | 3 | 7 | 3.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
10745380 | 38555 | 0 | None | -309 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL146654 | 38555 | 0 | None | -309 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
132266 | 1252 | 9 | None | -11 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960697s | ||
486 | 1252 | 9 | None | -11 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960697s | ||
CHEMBL423294 | 1252 | 9 | None | -11 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960697s | ||
25132566 | 186740 | 0 | None | -5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm800461k | ||
CHEMBL493041 | 186740 | 0 | None | -5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm800461k | ||
56946472 | 71167 | 0 | None | -15 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 8 | 1 | 3 | 4.8 | c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | ||
CHEMBL1946778 | 71167 | 0 | None | -15 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 8 | 1 | 3 | 4.8 | c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | ||
CHEMBL1962753 | 71167 | 0 | None | -15 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 8 | 1 | 3 | 4.8 | c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | ||
9804599 | 101230 | 0 | None | -25 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 430 | 7 | 1 | 6 | 1.8 | O=c1cc[nH]c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL299452 | 101230 | 0 | None | -25 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 430 | 7 | 1 | 6 | 1.8 | O=c1cc[nH]c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
44298671 | 162626 | 0 | None | -19 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 460 | 8 | 1 | 7 | 1.8 | COc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL418112 | 162626 | 0 | None | -19 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 460 | 8 | 1 | 7 | 1.8 | COc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
15840661 | 197781 | 0 | None | -31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 7 | 1 | 5 | 2.2 | O=C1CCNC(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL59153 | 197781 | 0 | None | -31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 7 | 1 | 5 | 2.2 | O=C1CCNC(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
145947915 | 167169 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 431 | 6 | 1 | 6 | 2.3 | CS(=O)(=O)c1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4213907 | 167169 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 431 | 6 | 1 | 6 | 2.3 | CS(=O)(=O)c1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4302725 | 167169 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 431 | 6 | 1 | 6 | 2.3 | CS(=O)(=O)c1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
9985476 | 37053 | 0 | None | -1584 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL145394 | 37053 | 0 | None | -1584 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
136806211 | 205949 | 0 | None | -72 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 650 | 14 | 4 | 7 | 5.0 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44328738 | 205949 | 0 | None | -72 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 650 | 14 | 4 | 7 | 5.0 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL95434 | 205949 | 0 | None | -72 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 650 | 14 | 4 | 7 | 5.0 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44307780 | 101867 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 431 | 5 | 0 | 8 | 3.1 | COc1ccccc1N1CCN(Cn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 | 10.1021/jm0307741 | ||
CHEMBL303681 | 101867 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 431 | 5 | 0 | 8 | 3.1 | COc1ccccc1N1CCN(Cn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 | 10.1021/jm0307741 | ||
10508332 | 105511 | 0 | None | -213 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | ||
CHEMBL313160 | 105511 | 0 | None | -213 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | ||
10627021 | 106611 | 0 | None | -229 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | ||
CHEMBL315914 | 106611 | 0 | None | -229 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | ||
155517137 | 169572 | 0 | None | -11 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2OCCOC2(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL4444133 | 169572 | 0 | None | -11 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2OCCOC2(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.02.056 | ||
11857711 | 85199 | 0 | None | -8 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228332 | 85199 | 0 | None | -8 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
49781676 | 17690 | 0 | None | -36 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
CHEMBL1259062 | 17690 | 0 | None | -36 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
10531157 | 37569 | 0 | None | -3162 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL145843 | 37569 | 0 | None | -3162 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
46934791 | 16511 | 0 | None | -10 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1242818 | 16511 | 0 | None | -10 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
134133829 | 143293 | 0 | None | -14 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 337 | 7 | 1 | 5 | 3.5 | COc1ccccc1OCCNCC1CSC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | ||
CHEMBL3901382 | 143293 | 0 | None | -14 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 337 | 7 | 1 | 5 | 3.5 | COc1ccccc1OCCNCC1CSC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | ||
10526419 | 197370 | 0 | None | -8 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 7 | 2 | 6 | 2.7 | COc1cc(N)c(C(=O)NCCN2C[C@@H]3CCc4c(OC)cccc4[C@@H]3C2)cc1OC | 10.1021/jm000541z | ||
CHEMBL58612 | 197370 | 0 | None | -8 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 7 | 2 | 6 | 2.7 | COc1cc(N)c(C(=O)NCCN2C[C@@H]3CCc4c(OC)cccc4[C@@H]3C2)cc1OC | 10.1021/jm000541z | ||
44318081 | 162762 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
CHEMBL418926 | 162762 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
44300111 | 100393 | 0 | None | -794 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL293515 | 100393 | 0 | None | -794 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
10793023 | 121008 | 0 | None | -173 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(C)c1 | 10.1021/jm990200p | ||
CHEMBL358489 | 121008 | 0 | None | -173 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(C)c1 | 10.1021/jm990200p | ||
44289026 | 165833 | 0 | None | -144 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 533 | 8 | 1 | 3 | 6.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C(F)(F)F)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL42763 | 165833 | 0 | None | -144 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 533 | 8 | 1 | 3 | 6.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C(F)(F)F)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
10651654 | 110995 | 0 | None | -173 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | ||
CHEMBL327712 | 110995 | 0 | None | -173 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | ||
71449516 | 84181 | 0 | None | -18 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153552 | 84181 | 0 | None | -18 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2221146 | 84181 | 0 | None | -18 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
11742585 | 162796 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3ccccn3)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL419164 | 162796 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3ccccn3)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | ||
50985821 | 175644 | 25 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 474 | 5 | 2 | 5 | 6.2 | N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1 | 10.1021/acs.jmedchem.2c00204 | ||
CHEMBL4594433 | 175644 | 25 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 474 | 5 | 2 | 5 | 6.2 | N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1 | 10.1021/acs.jmedchem.2c00204 | ||
122295 | 9775 | 6 | None | -1 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | ||
CHEMBL114166 | 9775 | 6 | None | -1 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | ||
53328314 | 63059 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 4.2 | O=C1CC(c2ccccc2)CC(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796034 | 63059 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 4.2 | O=C1CC(c2ccccc2)CC(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
145949210 | 162199 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
CHEMBL4171491 | 162199 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
10507500 | 121180 | 0 | None | -1659 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)Cc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL358785 | 121180 | 0 | None | -1659 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)Cc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
44288740 | 100885 | 0 | None | -117 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 437 | 8 | 1 | 3 | 4.9 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL296965 | 100885 | 0 | None | -117 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 437 | 8 | 1 | 3 | 4.9 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
44288810 | 168895 | 0 | None | -5 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 483 | 9 | 2 | 3 | 4.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C(N)=O)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL44288 | 168895 | 0 | None | -5 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 483 | 9 | 2 | 3 | 4.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C(N)=O)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
180707 | 114636 | 1 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343975 | 114636 | 1 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
10793963 | 99211 | 0 | None | -23 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL284470 | 99211 | 0 | None | -23 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
124 | 2933 | 44 | None | -338 | 32 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
2032 | 2933 | 44 | None | -338 | 32 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
4636 | 2933 | 44 | None | -338 | 32 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
CHEMBL762 | 2933 | 44 | None | -338 | 32 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
DB00935 | 2933 | 44 | None | -338 | 32 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
180707 | 114636 | 1 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343975 | 114636 | 1 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
46846073 | 5723 | 0 | None | -151 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 451 | 9 | 1 | 4 | 5.6 | c1ccc(-c2ccccc2OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL1078772 | 5723 | 0 | None | -151 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 451 | 9 | 1 | 4 | 5.6 | c1ccc(-c2ccccc2OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | ||
9944467 | 9161 | 0 | None | -19 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 2 | 2 | 2 | 3.4 | O=C(Nc1cccc2c1CCCC2c1c[nH]cn1)C(F)(F)F | 10.1021/jm030551a | ||
CHEMBL110751 | 9161 | 0 | None | -19 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 2 | 2 | 2 | 3.4 | O=C(Nc1cccc2c1CCCC2c1c[nH]cn1)C(F)(F)F | 10.1021/jm030551a | ||
CHEMBL4535474 | 212235 | 34 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
11281005 | 11738 | 0 | None | -13 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
CHEMBL1182191 | 11738 | 0 | None | -13 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
CHEMBL218079 | 11738 | 0 | None | -13 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
11347303 | 110892 | 0 | None | -15 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1ccc2c(c1)C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | ||
CHEMBL327116 | 110892 | 0 | None | -15 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1ccc2c(c1)C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | ||
20750645 | 101837 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 346 | 6 | 1 | 5 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL303485 | 101837 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 346 | 6 | 1 | 5 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
11519153 | 85192 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
11519153 | 85192 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL228278 | 85192 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228278 | 85192 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
506 | 2221 | 32 | None | -6 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
6603904 | 2221 | 32 | None | -6 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
CHEMBL19476 | 2221 | 32 | None | -6 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
10745901 | 37231 | 0 | None | -1698 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL145547 | 37231 | 0 | None | -1698 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
10949698 | 203576 | 0 | None | -38 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 413 | 8 | 1 | 8 | 1.9 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL79161 | 203576 | 0 | None | -38 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 413 | 8 | 1 | 8 | 1.9 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
44460477 | 203696 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 7 | 0 | 6 | 3.9 | O=C1CCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
CHEMBL80109 | 203696 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 7 | 0 | 6 | 3.9 | O=C1CCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
134149777 | 147979 | 0 | None | -37 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 7 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1CSC2(CCCCC2)S1 | 10.1016/j.ejmech.2016.09.050 | ||
CHEMBL3938383 | 147979 | 0 | None | -37 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 7 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1CSC2(CCCCC2)S1 | 10.1016/j.ejmech.2016.09.050 | ||
181743 | 177997 | 3 | None | -169 | 22 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
CHEMBL467094 | 177997 | 3 | None | -169 | 22 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
44295192 | 101252 | 0 | None | -380 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 574 | 7 | 2 | 10 | 2.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3nonc3c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
CHEMBL299539 | 101252 | 0 | None | -380 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 574 | 7 | 2 | 10 | 2.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3nonc3c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
10673657 | 205006 | 0 | None | -2818 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.3 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
CHEMBL89927 | 205006 | 0 | None | -2818 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.3 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
10099811 | 120510 | 1 | None | -912 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
CHEMBL356584 | 120510 | 1 | None | -912 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
10745664 | 121502 | 0 | None | -28 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL359433 | 121502 | 0 | None | -28 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
10371061 | 36471 | 0 | None | -1905 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL144925 | 36471 | 0 | None | -1905 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
10099811 | 120510 | 1 | None | -912 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL356584 | 120510 | 1 | None | -912 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
44288741 | 168281 | 0 | None | -45 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | ||
CHEMBL43799 | 168281 | 0 | None | -45 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | ||
44288741 | 168281 | 0 | None | -45 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL43799 | 168281 | 0 | None | -45 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
19085921 | 104430 | 0 | None | -3 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 513 | 7 | 0 | 9 | 2.6 | COC(=O)c1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL311290 | 104430 | 0 | None | -3 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 513 | 7 | 0 | 9 | 2.6 | COC(=O)c1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
9894818 | 98468 | 0 | None | -138 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | ||
CHEMBL279436 | 98468 | 0 | None | -138 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | ||
10818003 | 105940 | 0 | None | -6 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | ||
CHEMBL313953 | 105940 | 0 | None | -6 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | ||
11090351 | 162839 | 0 | None | -13 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL419448 | 162839 | 0 | None | -13 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
136 | 3240 | 28 | None | -74 | 16 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
223 | 3240 | 28 | None | -74 | 16 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
643606 | 3240 | 28 | None | -74 | 16 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
CHEMBL10347 | 3240 | 28 | None | -74 | 16 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
3584 | 3718 | 60 | None | -1 | 14 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
5401 | 3718 | 60 | None | -1 | 14 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
7302 | 3718 | 60 | None | -1 | 14 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
44431553 | 87058 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL233416 | 87058 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
11393666 | 192384 | 0 | None | -89 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
CHEMBL5201983 | 192384 | 0 | None | -89 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
CHEMBL5222597 | 192384 | 0 | None | -89 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
11191047 | 200132 | 0 | None | 7 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
CHEMBL60699 | 200132 | 0 | None | 7 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
10928161 | 4176 | 0 | None | 269 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.1 | CC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL100434 | 4176 | 0 | None | 269 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.1 | CC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | ||
118716723 | 114519 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 446 | 4 | 1 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342876 | 114519 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 446 | 4 | 1 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
11440679 | 196397 | 0 | None | 16 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1021/jm030944+ | ||
CHEMBL57425 | 196397 | 0 | None | 16 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1021/jm030944+ | ||
10099811 | 120510 | 1 | None | -912 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
CHEMBL356584 | 120510 | 1 | None | -912 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
19085820 | 204090 | 0 | None | -2691 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL83226 | 204090 | 0 | None | -2691 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
132060770 | 162089 | 0 | None | -57 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4169689 | 162089 | 0 | None | -57 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
46882088 | 5750 | 0 | None | -46 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1OC | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL1079066 | 5750 | 0 | None | -46 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1OC | 10.1016/j.bmcl.2010.01.030 | ||
25132217 | 172034 | 0 | None | -13 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2CO[C@H](c3ccccc3)CO2)cc1 | 10.1021/jm800461k | ||
CHEMBL449057 | 172034 | 0 | None | -13 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2CO[C@H](c3ccccc3)CO2)cc1 | 10.1021/jm800461k | ||
11346205 | 9186 | 0 | None | 8 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 268 | 4 | 3 | 5 | 0.8 | CCS(=O)(=O)Nc1cccc(NC2=NCCN2)c1 | 10.1021/jm030551a | ||
CHEMBL110852 | 9186 | 0 | None | 8 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 268 | 4 | 3 | 5 | 0.8 | CCS(=O)(=O)Nc1cccc(NC2=NCCN2)c1 | 10.1021/jm030551a | ||
44431554 | 166125 | 0 | None | -28 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL428197 | 166125 | 0 | None | -28 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
11857792 | 143371 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL390192 | 143371 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
44289321 | 161419 | 0 | None | -33 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 455 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL415887 | 161419 | 0 | None | -33 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 455 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
44289047 | 99918 | 0 | None | -134 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 5.2 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccn3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL289916 | 99918 | 0 | None | -134 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 5.2 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccn3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
11994671 | 11724 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182138 | 11724 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL214506 | 11724 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
10132012 | 109257 | 0 | None | -7 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 4 | 2 | 3 | 3.3 | CCS(=O)(=O)Nc1cc(Cl)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL323004 | 109257 | 0 | None | -7 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 4 | 2 | 3 | 3.3 | CCS(=O)(=O)Nc1cc(Cl)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
9796525 | 9317 | 0 | None | -7 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1007/s00044-004-0020-z | ||
CHEMBL111584 | 9317 | 0 | None | -7 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1007/s00044-004-0020-z | ||
9880254 | 9211 | 0 | None | -43 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 4 | 2 | 3 | 2.8 | CCS(=O)(=O)Nc1cc(F)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL110975 | 9211 | 0 | None | -43 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 4 | 2 | 3 | 2.8 | CCS(=O)(=O)Nc1cc(F)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
9798656 | 12781 | 0 | None | -24 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 353 | 7 | 1 | 2 | 5.0 | c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
CHEMBL1188902 | 12781 | 0 | None | -24 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 353 | 7 | 1 | 2 | 5.0 | c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
CHEMBL537651 | 12781 | 0 | None | -24 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 353 | 7 | 1 | 2 | 5.0 | c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
10530491 | 102132 | 0 | None | -234 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 540 | 9 | 1 | 6 | 4.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
CHEMBL304132 | 102132 | 0 | None | -234 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 540 | 9 | 1 | 6 | 4.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
10554913 | 37114 | 0 | None | -52 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL145443 | 37114 | 0 | None | -52 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
145951352 | 162210 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
CHEMBL4171710 | 162210 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
118716703 | 114498 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 4 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342856 | 114498 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 4 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
10407753 | 196079 | 1 | None | 1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)cc1 | 10.1021/jm030944+ | ||
CHEMBL57168 | 196079 | 1 | None | 1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)cc1 | 10.1021/jm030944+ | ||
10626610 | 36522 | 0 | None | -371 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL144965 | 36522 | 0 | None | -371 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
118717459 | 114643 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343981 | 114643 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
9887378 | 97953 | 3 | None | -40 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 1.7 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
CHEMBL275469 | 97953 | 3 | None | -40 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 1.7 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
118717459 | 114643 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343981 | 114643 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
2247 | 502 | 77 | None | -31 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 502 | 77 | None | -31 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 502 | 77 | None | -31 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 502 | 77 | None | -31 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 502 | 77 | None | -31 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
44431587 | 166599 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL429076 | 166599 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
9808529 | 202174 | 0 | None | -20 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 587 | 10 | 2 | 9 | 3.1 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL68746 | 202174 | 0 | None | -20 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 587 | 10 | 2 | 9 | 3.1 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
145947248 | 167073 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1ccc2c(c1)S(=O)(=O)CCC2NCCOc1cc(F)ccc1F | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4214419 | 167073 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1ccc2c(c1)S(=O)(=O)CCC2NCCOc1cc(F)ccc1F | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4301553 | 167073 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1ccc2c(c1)S(=O)(=O)CCC2NCCOc1cc(F)ccc1F | 10.1016/j.ejmech.2017.07.071 | ||
53328315 | 63060 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796035 | 63060 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
134137025 | 142206 | 0 | None | -7 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 4 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
CHEMBL3892434 | 142206 | 0 | None | -7 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 4 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
44328654 | 106701 | 0 | None | -100 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL316495 | 106701 | 0 | None | -100 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44328739 | 205917 | 0 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 691 | 16 | 3 | 6 | 7.5 | CCCCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL95263 | 205917 | 0 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 691 | 16 | 3 | 6 | 7.5 | CCCCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
10674896 | 204918 | 0 | None | -208 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | ||
CHEMBL89243 | 204918 | 0 | None | -208 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | ||
44361064 | 31400 | 0 | None | -14 | 6 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | ||
CHEMBL140450 | 31400 | 0 | None | -14 | 6 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | ||
9816461 | 10619 | 6 | None | -6 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL117094 | 10619 | 6 | None | -6 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL544290 | 10619 | 6 | None | -6 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
10364538 | 4320 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL101322 | 4320 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL1204312 | 4320 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
11784634 | 36284 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 468 | 10 | 2 | 8 | 3.7 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | ||
CHEMBL144779 | 36284 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 468 | 10 | 2 | 8 | 3.7 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | ||
53328313 | 63057 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796032 | 63057 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
56946575 | 71183 | 0 | None | -37 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 8 | 1 | 3 | 4.6 | O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | ||
CHEMBL1946781 | 71183 | 0 | None | -37 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 8 | 1 | 3 | 4.6 | O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | ||
CHEMBL1962871 | 71183 | 0 | None | -37 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 8 | 1 | 3 | 4.6 | O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | ||
59151610 | 139329 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 3 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccc1Cl | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799219 | 139329 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 3 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccc1Cl | 10.1021/acs.jmedchem.5b01528 | ||
44299974 | 101424 | 0 | None | -89 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL300821 | 101424 | 0 | None | -89 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
10516365 | 59135 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 272 | 3 | 1 | 3 | 3.0 | COC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | ||
CHEMBL171196 | 59135 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 272 | 3 | 1 | 3 | 3.0 | COC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | ||
CHEMBL1744266 | 59135 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 272 | 3 | 1 | 3 | 3.0 | COC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | ||
11431037 | 100471 | 0 | None | 20 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 457 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL294023 | 100471 | 0 | None | 20 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 457 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
10342554 | 104303 | 0 | None | -33 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 428 | 7 | 0 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
CHEMBL310890 | 104303 | 0 | None | -33 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 428 | 7 | 0 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
46934787 | 16507 | 0 | None | -13 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1242724 | 16507 | 0 | None | -13 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
118716709 | 114505 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 457 | 5 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCCC4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342862 | 114505 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 457 | 5 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCCC4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
10556164 | 121182 | 0 | None | -977 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 572 | 8 | 3 | 6 | 3.1 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL358795 | 121182 | 0 | None | -977 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 572 | 8 | 3 | 6 | 3.1 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL4520788 | 212225 | 6 | None | -18 | 25 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
44390749 | 63579 | 0 | None | -213 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL180561 | 63579 | 0 | None | -213 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | ||
10603727 | 37457 | 0 | None | -331 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 606 | 10 | 3 | 8 | 3.4 | CCC1=C(C(=O)NC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
CHEMBL145752 | 37457 | 0 | None | -331 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 606 | 10 | 3 | 8 | 3.4 | CCC1=C(C(=O)NC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
9894818 | 98468 | 0 | None | -138 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL279436 | 98468 | 0 | None | -138 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
44390749 | 63579 | 0 | None | -213 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm960697s | ||
CHEMBL180561 | 63579 | 0 | None | -213 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm960697s | ||
46934643 | 16498 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1242632 | 16498 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
90645600 | 111941 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 640 | 12 | 2 | 9 | 4.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298018 | 111941 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 640 | 12 | 2 | 9 | 4.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
3033538 | 1292 | 36 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
7155 | 1292 | 36 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
781 | 1292 | 36 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
CHEMBL1201216 | 1292 | 36 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
DB00298 | 1292 | 36 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
11857862 | 141522 | 0 | None | 2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL387833 | 141522 | 0 | None | 2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
10624665 | 99868 | 0 | None | -1 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL289437 | 99868 | 0 | None | -1 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
10974101 | 116453 | 0 | None | -26 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 10 | 1 | 9 | 4.2 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C)CC3)cccc2c1=O | 10.1021/jm030825u | ||
CHEMBL338608 | 116453 | 0 | None | -26 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 10 | 1 | 9 | 4.2 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C)CC3)cccc2c1=O | 10.1021/jm030825u | ||
49832187 | 167022 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4213993 | 167022 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4300720 | 167022 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
12840734 | 100462 | 3 | None | 8 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1 | 10.1021/jm030944+ | ||
CHEMBL293968 | 100462 | 3 | None | 8 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1 | 10.1021/jm030944+ | ||
11123606 | 203724 | 0 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL80260 | 203724 | 0 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
155544514 | 175781 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4526865 | 175781 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4595671 | 175781 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
10743111 | 197018 | 0 | None | 1 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(-c5ccccc5)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL58105 | 197018 | 0 | None | 1 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(-c5ccccc5)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
10091187 | 78414 | 0 | None | -21 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 4.6 | COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 | 10.1021/jm010866v | ||
CHEMBL2112779 | 78414 | 0 | None | -21 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 4.6 | COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 | 10.1021/jm010866v | ||
3251 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | ||
5684 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | ||
80 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL31354 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | ||
3251 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | ||
5684 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | ||
80 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL31354 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | ||
3251 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | ||
5684 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | ||
80 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL31354 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | ||
134150497 | 151560 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 324 | 6 | 0 | 3 | 3.8 | CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
CHEMBL3967641 | 151560 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 324 | 6 | 0 | 3 | 3.8 | CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
3251 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | ||
5684 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | ||
80 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | ||
CHEMBL31354 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | ||
11109088 | 202479 | 0 | None | 3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70751 | 202479 | 0 | None | 3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
118716700 | 114495 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 6 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342853 | 114495 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 6 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
44288392 | 99904 | 0 | None | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 6 | 1 | 6 | 4.4 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
CHEMBL289758 | 99904 | 0 | None | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 6 | 1 | 6 | 4.4 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
46934945 | 16519 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1242912 | 16519 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
76323010 | 105767 | 0 | None | -5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL2261606 | 105767 | 0 | None | -5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL3138929 | 105767 | 0 | None | -5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
16721032 | 91756 | 0 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL242507 | 91756 | 0 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
44431554 | 87915 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234874 | 87915 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
57929612 | 139548 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 1.8 | CS(=O)(=O)c1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3800506 | 139548 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 1.8 | CS(=O)(=O)c1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | ||
16041630 | 97098 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL270589 | 97098 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
11049209 | 205672 | 0 | None | -9 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 486 | 6 | 1 | 5 | 4.4 | Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
CHEMBL93923 | 205672 | 0 | None | -9 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 486 | 6 | 1 | 5 | 4.4 | Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
2389 | 3279 | 114 | None | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
5073 | 3279 | 114 | None | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
96 | 3279 | 114 | None | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
CHEMBL85 | 3279 | 114 | None | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
DB00734 | 3279 | 114 | None | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
289 | 240 | 6 | None | -3 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
9948320 | 240 | 6 | None | -3 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
CHEMBL1242950 | 240 | 6 | None | -3 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
11857638 | 141623 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
11857638 | 141623 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL388361 | 141623 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL388361 | 141623 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
10674840 | 202021 | 0 | None | -50 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL67648 | 202021 | 0 | None | -50 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
10507357 | 202238 | 0 | None | -58 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 574 | 10 | 1 | 7 | 4.0 | COC(CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1 | 10.1021/jm9905918 | ||
CHEMBL69245 | 202238 | 0 | None | -58 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 574 | 10 | 1 | 7 | 4.0 | COC(CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1 | 10.1021/jm9905918 | ||
19085866 | 104938 | 0 | None | -338 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 455 | 6 | 0 | 7 | 2.9 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL311890 | 104938 | 0 | None | -338 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 455 | 6 | 0 | 7 | 2.9 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
10627003 | 202637 | 0 | None | -53 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL71580 | 202637 | 0 | None | -53 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
1353 | 1880 | 85 | None | -10 | 85 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
3559 | 1880 | 85 | None | -10 | 85 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
86 | 1880 | 85 | None | -10 | 85 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
CHEMBL54 | 1880 | 85 | None | -10 | 85 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
DB00502 | 1880 | 85 | None | -10 | 85 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
135 | 2496 | 38 | None | -10 | 57 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
1796 | 2496 | 38 | None | -10 | 57 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
4184 | 2496 | 38 | None | -10 | 57 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
CHEMBL6437 | 2496 | 38 | None | -10 | 57 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
DB06148 | 2496 | 38 | None | -10 | 57 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
3168 | 9172 | 84 | None | -29 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
CHEMBL1108 | 9172 | 84 | None | -29 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
3000341 | 199846 | 10 | None | 11 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 368 | 4 | 1 | 4 | 3.8 | CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.9b01465 | ||
CHEMBL60533 | 199846 | 10 | None | 11 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 368 | 4 | 1 | 4 | 3.8 | CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.9b01465 | ||
10744391 | 205631 | 0 | None | -37 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | ||
CHEMBL93693 | 205631 | 0 | None | -37 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | ||
44435200 | 149143 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 345 | 4 | 0 | 2 | 5.8 | O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
CHEMBL394755 | 149143 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 345 | 4 | 0 | 2 | 5.8 | O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
44301573 | 201109 | 0 | None | -416 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 535 | 7 | 1 | 5 | 4.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CC(O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
CHEMBL62249 | 201109 | 0 | None | -416 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 535 | 7 | 1 | 5 | 4.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CC(O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
44318000 | 203686 | 0 | None | -51 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 480 | 7 | 0 | 7 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)CC4(CCCC4)CC3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
CHEMBL80036 | 203686 | 0 | None | -51 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 480 | 7 | 0 | 7 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)CC4(CCCC4)CC3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
44417706 | 11730 | 0 | None | -12 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
CHEMBL1182152 | 11730 | 0 | None | -12 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
CHEMBL215188 | 11730 | 0 | None | -12 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
118716712 | 114508 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 4 | 0 | 6 | 2.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C(F)(F)F)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342865 | 114508 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 4 | 0 | 6 | 2.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C(F)(F)F)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
44311789 | 203028 | 0 | None | -3 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL74342 | 203028 | 0 | None | -3 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
44328920 | 108154 | 0 | None | -36 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL320736 | 108154 | 0 | None | -36 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | ||
71061709 | 148995 | 0 | None | -28 | 12 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
CHEMBL3946540 | 148995 | 0 | None | -28 | 12 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
118716701 | 114496 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 1.5 | COc1ccccc1N1CCN(CC2COC3(CC[S+]([O-])CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342854 | 114496 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 1.5 | COc1ccccc1N1CCN(CC2COC3(CC[S+]([O-])CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
59151668 | 139544 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 262 | 3 | 2 | 4 | 1.2 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccn1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3800485 | 139544 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 262 | 3 | 2 | 4 | 1.2 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccn1 | 10.1021/acs.jmedchem.5b01528 | ||
44295046 | 101463 | 0 | None | -380 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 577 | 8 | 2 | 9 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
CHEMBL301077 | 101463 | 0 | None | -380 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 577 | 8 | 2 | 9 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
44295218 | 188513 | 0 | None | -27 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
CHEMBL51019 | 188513 | 0 | None | -27 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
9916549 | 121050 | 0 | None | -1023 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
CHEMBL358595 | 121050 | 0 | None | -1023 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
101333429 | 116575 | 0 | None | -1071 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | ||
CHEMBL3392247 | 116575 | 0 | None | -1071 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | ||
11312410 | 8814 | 0 | None | -9 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
CHEMBL109755 | 8814 | 0 | None | -9 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
11312410 | 8814 | 0 | None | -9 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
CHEMBL109755 | 8814 | 0 | None | -9 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
11201573 | 195980 | 0 | None | 3 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 442 | 5 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(C(C)=O)CC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
CHEMBL57097 | 195980 | 0 | None | 3 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 442 | 5 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(C(C)=O)CC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
53328312 | 63056 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1CC(c2ccccc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796031 | 63056 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1CC(c2ccccc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
25130879 | 172666 | 0 | None | -10 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm800461k | ||
CHEMBL452437 | 172666 | 0 | None | -10 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm800461k | ||
9959689 | 101343 | 0 | None | -281 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
CHEMBL300222 | 101343 | 0 | None | -281 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
136806212 | 205998 | 0 | None | -114 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 636 | 13 | 4 | 7 | 4.6 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44328639 | 205998 | 0 | None | -114 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 636 | 13 | 4 | 7 | 4.6 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL95736 | 205998 | 0 | None | -114 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 636 | 13 | 4 | 7 | 4.6 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
10626982 | 111007 | 0 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL327775 | 111007 | 0 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
44361064 | 31400 | 0 | None | -16 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | ||
CHEMBL140450 | 31400 | 0 | None | -16 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | ||
44420419 | 83018 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 485 | 4 | 0 | 7 | 3.3 | Cn1c(=O)n(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)c2c1c1ccccc1n2C | 10.1016/j.bmcl.2006.09.034 | ||
CHEMBL219719 | 83018 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 485 | 4 | 0 | 7 | 3.3 | Cn1c(=O)n(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)c2c1c1ccccc1n2C | 10.1016/j.bmcl.2006.09.034 | ||
3198 | 203802 | 73 | None | -30 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1201049 | 203802 | 73 | None | -30 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL808 | 203802 | 73 | None | -30 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
44431615 | 87610 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 8 | 1 | 5 | 4.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234476 | 87610 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 8 | 1 | 5 | 4.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.008 | ||
11857793 | 85231 | 0 | None | -9 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228494 | 85231 | 0 | None | -9 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
44316072 | 203307 | 0 | None | -4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
CHEMBL76867 | 203307 | 0 | None | -4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
10031709 | 37079 | 0 | None | -4365 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 613 | 10 | 0 | 5 | 8.1 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL145411 | 37079 | 0 | None | -4365 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 613 | 10 | 0 | 5 | 8.1 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
10371061 | 36471 | 0 | None | -1905 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
CHEMBL144925 | 36471 | 0 | None | -1905 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
10793665 | 106469 | 0 | None | -251 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | ||
CHEMBL314960 | 106469 | 0 | None | -251 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | ||
44275255 | 98152 | 0 | None | -354 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 636 | 12 | 2 | 7 | 7.2 | CCC1=NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C1=C(\O)OC | 10.1021/jm960697s | ||
CHEMBL276932 | 98152 | 0 | None | -354 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 636 | 12 | 2 | 7 | 7.2 | CCC1=NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C1=C(\O)OC | 10.1021/jm960697s | ||
10221830 | 9331 | 0 | None | -1 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 387 | 5 | 2 | 3 | 4.7 | CCS(=O)(=O)Nc1cc(C2CCCCC2)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL111685 | 9331 | 0 | None | -1 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 387 | 5 | 2 | 3 | 4.7 | CCS(=O)(=O)Nc1cc(C2CCCCC2)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
136680385 | 205916 | 0 | None | -147 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
44328824 | 205916 | 0 | None | -147 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL95253 | 205916 | 0 | None | -147 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
135398745 | 2869 | 108 | None | -24 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
47 | 2869 | 108 | None | -24 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
CHEMBL715 | 2869 | 108 | None | -24 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
DB00334 | 2869 | 108 | None | -24 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
2142 | 3047 | 54 | None | -12 | 36 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | ||
4920903 | 3047 | 54 | None | -12 | 36 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | ||
502 | 3047 | 54 | None | -12 | 36 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | ||
5775 | 3047 | 54 | None | -12 | 36 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | ||
CHEMBL597 | 3047 | 54 | None | -12 | 36 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | ||
DB00692 | 3047 | 54 | None | -12 | 36 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | ||
53328311 | 63055 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 7 | 0 | 5 | 3.1 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796030 | 63055 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 7 | 0 | 5 | 3.1 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
44267817 | 162699 | 0 | None | -53 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 420 | 8 | 1 | 5 | 1.9 | CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
CHEMBL418531 | 162699 | 0 | None | -53 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 420 | 8 | 1 | 5 | 1.9 | CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
53315878 | 92523 | 59 | None | -100 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 546 | 10 | 1 | 8 | 5.0 | COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1 | 10.1021/jm401480r | ||
CHEMBL2441082 | 92523 | 59 | None | -100 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 546 | 10 | 1 | 8 | 5.0 | COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1 | 10.1021/jm401480r | ||
44329026 | 206683 | 0 | None | -89 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL99864 | 206683 | 0 | None | -89 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
10507651 | 204781 | 0 | None | -51 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
CHEMBL88388 | 204781 | 0 | None | -51 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
42 | 2032 | 50 | None | -8 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1016/s0960-894x(98)00451-x | ||
56971 | 2032 | 50 | None | -8 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1016/s0960-894x(98)00451-x | ||
CHEMBL8412 | 2032 | 50 | None | -8 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1016/s0960-894x(98)00451-x | ||
44431617 | 87914 | 0 | None | -9 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234854 | 87914 | 0 | None | -9 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
16041263 | 95003 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL257098 | 95003 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
11154311 | 100257 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 418 | 5 | 0 | 6 | 2.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2F)CC1 | 10.1021/jm030944+ | ||
CHEMBL292637 | 100257 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 418 | 5 | 0 | 6 | 2.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2F)CC1 | 10.1021/jm030944+ | ||
127035062 | 135928 | 0 | None | -16 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
CHEMBL3735756 | 135928 | 0 | None | -16 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
9895326 | 205299 | 0 | None | -436 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | ||
CHEMBL91550 | 205299 | 0 | None | -436 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | ||
11857710 | 85193 | 0 | None | -10 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228279 | 85193 | 0 | None | -10 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
18738384 | 163825 | 0 | None | -25 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL421297 | 163825 | 0 | None | -25 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
44288469 | 161141 | 0 | None | -1 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
CHEMBL41332 | 161141 | 0 | None | -1 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
2337 | 3205 | 72 | None | -2 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
50 | 3205 | 72 | None | -2 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
5002 | 3205 | 72 | None | -2 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
CHEMBL716 | 3205 | 72 | None | -2 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
DB01224 | 3205 | 72 | None | -2 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
2351 | 3234 | 60 | None | -8 | 21 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
2820 | 3234 | 60 | None | -8 | 21 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
5035 | 3234 | 60 | None | -8 | 21 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
CHEMBL81 | 3234 | 60 | None | -8 | 21 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
DB00481 | 3234 | 60 | None | -8 | 21 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
11034737 | 202823 | 0 | None | -2 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72724 | 202823 | 0 | None | -2 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
101876962 | 114640 | 0 | None | -66 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343979 | 114640 | 0 | None | -66 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
118717458 | 114642 | 0 | None | -3 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343980 | 114642 | 0 | None | -3 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
9880162 | 9212 | 0 | None | 1 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 4 | 2 | 4 | 2.3 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL110976 | 9212 | 0 | None | 1 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 4 | 2 | 4 | 2.3 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
10221005 | 202619 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
CHEMBL71479 | 202619 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
101876962 | 114640 | 0 | None | -66 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343979 | 114640 | 0 | None | -66 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
118717458 | 114642 | 0 | None | -3 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343980 | 114642 | 0 | None | -3 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
44431614 | 87609 | 0 | None | -2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 533 | 9 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234474 | 87609 | 0 | None | -2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 533 | 9 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
145950240 | 162151 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
CHEMBL4170675 | 162151 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
10626772 | 36007 | 0 | None | -1202 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=NC(C)=C(C(=O)OC)C(c2ccc(F)c(F)c2)N1CCCCCN1CCC(C#N)(c2ccccc2)CC1 | 10.1021/jm9902032 | ||
CHEMBL144534 | 36007 | 0 | None | -1202 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=NC(C)=C(C(=O)OC)C(c2ccc(F)c(F)c2)N1CCCCCN1CCC(C#N)(c2ccccc2)CC1 | 10.1021/jm9902032 | ||
10029146 | 203978 | 0 | None | -933 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
CHEMBL82267 | 203978 | 0 | None | -933 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
10578735 | 120607 | 0 | None | -33 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL357439 | 120607 | 0 | None | -33 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
10840177 | 37882 | 0 | None | -954 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 540 | 7 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL146109 | 37882 | 0 | None | -954 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 540 | 7 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
44301681 | 201006 | 0 | None | -831 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 481 | 8 | 2 | 4 | 4.6 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
CHEMBL61643 | 201006 | 0 | None | -831 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 481 | 8 | 2 | 4 | 4.6 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
10841190 | 106559 | 0 | None | -69 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | ||
CHEMBL315538 | 106559 | 0 | None | -69 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | ||
118717455 | 114637 | 0 | None | -25 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343976 | 114637 | 0 | None | -25 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
118717460 | 114644 | 0 | None | -9 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343982 | 114644 | 0 | None | -9 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
11857861 | 85249 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
11857861 | 85249 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL228606 | 85249 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228606 | 85249 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
9883506 | 70220 | 0 | None | -3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
CHEMBL194849 | 70220 | 0 | None | -3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
118717455 | 114637 | 0 | None | -25 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343976 | 114637 | 0 | None | -25 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
118717460 | 114644 | 0 | None | -9 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343982 | 114644 | 0 | None | -9 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
10529370 | 205211 | 0 | None | -1122 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 5 | 3.0 | COCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
CHEMBL91125 | 205211 | 0 | None | -1122 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 5 | 3.0 | COCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
46915370 | 54682 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 0 | 3 | 5 | -1.6 | Cn1c(=O)[nH]c2c([nH]c(=O)n2C)c1=N | 10.1021/jm100490m | ||
CHEMBL1241328 | 54682 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 0 | 3 | 5 | -1.6 | Cn1c(=O)[nH]c2c([nH]c(=O)n2C)c1=N | 10.1021/jm100490m | ||
CHEMBL1615596 | 54682 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 0 | 3 | 5 | -1.6 | Cn1c(=O)[nH]c2c([nH]c(=O)n2C)c1=N | 10.1021/jm100490m | ||
102 | 4064 | 44 | None | -363 | 49 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
3659 | 4064 | 44 | None | -363 | 49 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
8969 | 4064 | 44 | None | -363 | 49 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
CHEMBL15245 | 4064 | 44 | None | -363 | 49 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
DB01392 | 4064 | 44 | None | -363 | 49 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
44431574 | 87374 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL233814 | 87374 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
3251 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
5684 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
80 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
CHEMBL31354 | 4009 | 50 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
11097789 | 102524 | 0 | None | 3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL306792 | 102524 | 0 | None | 3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
90645602 | 111943 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 553 | 7 | 1 | 8 | 5.0 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298020 | 111943 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 553 | 7 | 1 | 8 | 5.0 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
155562125 | 175769 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.4 | c1ccc(OCCNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4582160 | 175769 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.4 | c1ccc(OCCNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4595563 | 175769 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.4 | c1ccc(OCCNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
44298611 | 100186 | 0 | None | -125 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 440 | 7 | 1 | 6 | 2.3 | Cc1[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)c1C | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL292189 | 100186 | 0 | None | -125 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 440 | 7 | 1 | 6 | 2.3 | Cc1[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)c1C | 10.1016/s0960-894x(03)00305-6 | ||
44431562 | 88853 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL236832 | 88853 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | ||
145962368 | 160910 | 0 | None | -16 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@H]3CCCC[C@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4127483 | 160910 | 0 | None | -16 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@H]3CCCC[C@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | ||
44431545 | 144487 | 0 | None | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL391107 | 144487 | 0 | None | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
52948119 | 16487 | 0 | None | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1242445 | 16487 | 0 | None | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
11235558 | 195499 | 0 | None | 5 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C(F)(F)F)CC1 | 10.1021/jm030944+ | ||
CHEMBL56805 | 195499 | 0 | None | 5 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C(F)(F)F)CC1 | 10.1021/jm030944+ | ||
10917316 | 203776 | 0 | None | -10 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 8 | 1 | 8 | 2.6 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL80599 | 203776 | 0 | None | -10 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 8 | 1 | 8 | 2.6 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
11350756 | 194534 | 0 | None | 3 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm030944+ | ||
CHEMBL56150 | 194534 | 0 | None | 3 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm030944+ | ||
44299973 | 195776 | 0 | None | -6 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL56974 | 195776 | 0 | None | -6 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
10582624 | 201104 | 0 | None | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 393 | 4 | 1 | 7 | 1.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4nccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
CHEMBL62206 | 201104 | 0 | None | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 393 | 4 | 1 | 7 | 1.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4nccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
90645604 | 111945 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
CHEMBL3298022 | 111945 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
44431617 | 144368 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL391016 | 144368 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
11857861 | 193112 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL538397 | 193112 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
11338314 | 170804 | 0 | None | 4 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1 | 10.1021/jm0491391 | ||
CHEMBL446180 | 170804 | 0 | None | 4 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1 | 10.1021/jm0491391 | ||
155526629 | 175824 | 0 | None | -11 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | COc1ccccc1OCCNCCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4458714 | 175824 | 0 | None | -11 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | COc1ccccc1OCCNCCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4595984 | 175824 | 0 | None | -11 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | COc1ccccc1OCCNCCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
56945164 | 71170 | 0 | None | -17 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 417 | 9 | 2 | 4 | 4.4 | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O | 10.1021/jm200421e | ||
CHEMBL1946786 | 71170 | 0 | None | -17 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 417 | 9 | 2 | 4 | 4.4 | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O | 10.1021/jm200421e | ||
CHEMBL1962756 | 71170 | 0 | None | -17 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 417 | 9 | 2 | 4 | 4.4 | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O | 10.1021/jm200421e | ||
118716717 | 114513 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342870 | 114513 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
44288162 | 168433 | 0 | None | 2 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | ||
CHEMBL43921 | 168433 | 0 | None | 2 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | ||
155513941 | 175704 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.8 | COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4439658 | 175704 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.8 | COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4595078 | 175704 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.8 | COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
11857794 | 85232 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228496 | 85232 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | ||
10917920 | 110958 | 0 | None | -7 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
CHEMBL327527 | 110958 | 0 | None | -7 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
49781678 | 17696 | 0 | None | -7 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)cc1 | 10.1021/jm100652h | ||
CHEMBL1259079 | 17696 | 0 | None | -7 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)cc1 | 10.1021/jm100652h | ||
10474042 | 169686 | 0 | None | -30 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 4.1 | COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1 | 10.1021/jm010866v | ||
CHEMBL444590 | 169686 | 0 | None | -30 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 4.1 | COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1 | 10.1021/jm010866v | ||
11145007 | 163541 | 0 | None | -4 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 9 | 1 | 8 | 3.0 | COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
CHEMBL420959 | 163541 | 0 | None | -4 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 9 | 1 | 8 | 3.0 | COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
506 | 2221 | 32 | None | -9 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
6603904 | 2221 | 32 | None | -9 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
CHEMBL19476 | 2221 | 32 | None | -9 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
46881444 | 7534 | 0 | None | -6 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.5 | COc1ccccc1CCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL1088072 | 7534 | 0 | None | -6 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.5 | COc1ccccc1CCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
44298734 | 195033 | 0 | None | -31 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Cc1cc(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c(=O)[nH]1 | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL56489 | 195033 | 0 | None | -31 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Cc1cc(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c(=O)[nH]1 | 10.1016/s0960-894x(03)00305-6 | ||
44300129 | 166874 | 0 | None | -1318 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL429697 | 166874 | 0 | None | -1318 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
10603951 | 204790 | 0 | None | -24 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL88448 | 204790 | 0 | None | -24 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
11196451 | 167502 | 0 | None | 1 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 268 | 5 | 2 | 3 | 1.7 | CCS(=O)(=O)Nc1cccc(CC2CCCN2)c1 | 10.1021/jm030551a | ||
CHEMBL432451 | 167502 | 0 | None | 1 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 268 | 5 | 2 | 3 | 1.7 | CCS(=O)(=O)Nc1cccc(CC2CCCN2)c1 | 10.1021/jm030551a | ||
15675860 | 202724 | 0 | None | -67 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72147 | 202724 | 0 | None | -67 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
44312036 | 202859 | 0 | None | -7 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL72995 | 202859 | 0 | None | -7 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
9888164 | 17769 | 1 | None | -25 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 416 | 8 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
CHEMBL12603 | 17769 | 1 | None | -25 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 416 | 8 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
10770057 | 101602 | 0 | None | -42 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 610 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL302092 | 101602 | 0 | None | -42 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 610 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
10626911 | 101750 | 0 | None | -66 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
CHEMBL302940 | 101750 | 0 | None | -66 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
53328685 | 63069 | 0 | None | -5 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 435 | 7 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796044 | 63069 | 0 | None | -5 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 435 | 7 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
118716702 | 114497 | 0 | None | -5 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 396 | 4 | 0 | 7 | 1.1 | COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342855 | 114497 | 0 | None | -5 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 396 | 4 | 0 | 7 | 1.1 | COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
9851486 | 204972 | 0 | None | -436 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL89685 | 204972 | 0 | None | -436 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
10032383 | 109621 | 0 | None | -812 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
136680387 | 109621 | 0 | None | -812 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL323579 | 109621 | 0 | None | -812 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
102 | 4064 | 44 | None | -48 | 49 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
3659 | 4064 | 44 | None | -48 | 49 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
8969 | 4064 | 44 | None | -48 | 49 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
CHEMBL15245 | 4064 | 44 | None | -48 | 49 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
DB01392 | 4064 | 44 | None | -48 | 49 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
11801214 | 101751 | 0 | None | -25 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
CHEMBL302942 | 101751 | 0 | None | -25 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
9894665 | 103336 | 1 | None | -158 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL309106 | 103336 | 1 | None | -158 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
44316098 | 168600 | 0 | None | -14 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
CHEMBL440499 | 168600 | 0 | None | -14 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
180 | 397 | 50 | None | -23 | 38 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
200 | 397 | 50 | None | -23 | 38 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
2160 | 397 | 50 | None | -23 | 38 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
CHEMBL629 | 397 | 50 | None | -23 | 38 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
DB00321 | 397 | 50 | None | -23 | 38 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
25025053 | 139429 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799783 | 139429 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | ||
16041629 | 95002 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL257097 | 95002 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
11092112 | 205894 | 0 | None | -93 | 9 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 485 | 6 | 0 | 6 | 4.9 | O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | ||
CHEMBL95175 | 205894 | 0 | None | -93 | 9 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 485 | 6 | 0 | 6 | 4.9 | O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | ||
10698141 | 33603 | 0 | None | -66 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL142307 | 33603 | 0 | None | -66 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
3151 | 1434 | 93 | None | -77 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
945 | 1434 | 93 | None | -77 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
965 | 1434 | 93 | None | -77 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
CHEMBL219916 | 1434 | 93 | None | -77 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
DB01184 | 1434 | 93 | None | -77 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
10841819 | 118249 | 0 | None | -691 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 640 | 7 | 1 | 8 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL341838 | 118249 | 0 | None | -691 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 640 | 7 | 1 | 8 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
2477 | 734 | 54 | None | -8 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
36 | 734 | 54 | None | -8 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
437 | 734 | 54 | None | -8 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
CHEMBL49 | 734 | 54 | None | -8 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
DB00490 | 734 | 54 | None | -8 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
11857864 | 143717 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL390473 | 143717 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
277 | 1274 | 55 | None | -42 | 45 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
2913 | 1274 | 55 | None | -42 | 45 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
765 | 1274 | 55 | None | -42 | 45 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
CHEMBL516 | 1274 | 55 | None | -42 | 45 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
DB00434 | 1274 | 55 | None | -42 | 45 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
44331136 | 109193 | 0 | None | -4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 540 | 7 | 1 | 5 | 5.8 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL322688 | 109193 | 0 | None | -4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 540 | 7 | 1 | 5 | 5.8 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 | 10.1016/s0960-894x(98)00732-x | ||
53328684 | 63068 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 480 | 9 | 0 | 7 | 3.4 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796043 | 63068 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 480 | 9 | 0 | 7 | 3.4 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
155521817 | 170075 | 0 | None | 3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 368 | 5 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(C[C@H]2OCCO[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL4451283 | 170075 | 0 | None | 3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 368 | 5 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(C[C@H]2OCCO[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | ||
11994669 | 11725 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182141 | 11725 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL214552 | 11725 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
448537 | 159703 | 86 | None | -33 | 25 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
CHEMBL411 | 159703 | 86 | None | -33 | 25 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
12488 | 1627 | 51 | None | -10 | 23 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
941361 | 1627 | 51 | None | -10 | 23 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
CHEMBL30008 | 1627 | 51 | None | -10 | 23 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
DB04841 | 1627 | 51 | None | -10 | 23 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
44267890 | 16330 | 0 | None | -41 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 2.0 | O=C(CN1CCCCC1=O)NCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
CHEMBL12364 | 16330 | 0 | None | -41 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 2.0 | O=C(CN1CCCCC1=O)NCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
9809007 | 171996 | 6 | None | -407 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL448620 | 171996 | 6 | None | -407 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
2162 | 41273 | 97 | None | -4 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL1491 | 41273 | 97 | None | -4 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1016/s0960-894x(99)00484-9 | ||
10580182 | 37240 | 0 | None | -3162 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 658 | 7 | 1 | 8 | 4.0 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL145553 | 37240 | 0 | None | -3162 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 658 | 7 | 1 | 8 | 4.0 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
10792897 | 167351 | 0 | None | -186 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
CHEMBL431362 | 167351 | 0 | None | -186 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
59151651 | 139320 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 289 | 5 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1CCCc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799155 | 139320 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 289 | 5 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1CCCc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | ||
10317939 | 101455 | 0 | None | -4 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | ||
CHEMBL301019 | 101455 | 0 | None | -4 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | ||
9809007 | 171996 | 6 | None | -407 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
CHEMBL448620 | 171996 | 6 | None | -407 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
9809007 | 171996 | 6 | None | -407 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL448620 | 171996 | 6 | None | -407 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
10768610 | 202074 | 0 | None | -24 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 532 | 8 | 2 | 7 | 2.5 | COc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL68045 | 202074 | 0 | None | -24 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 532 | 8 | 2 | 7 | 2.5 | COc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
1220 | 186 | 46 | None | -4265 | 44 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | ||
31 | 186 | 46 | None | -4265 | 44 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | ||
7 | 186 | 46 | None | -4265 | 44 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | ||
CHEMBL56 | 186 | 46 | None | -4265 | 44 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | ||
3034396 | 101168 | 33 | None | -91 | 17 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.9b01465 | ||
CHEMBL299031 | 101168 | 33 | None | -91 | 17 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.9b01465 | ||
10880840 | 11891 | 0 | None | -14 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 291 | 6 | 1 | 4 | 2.7 | c1ccc(OCCNCC2COC3(CCCCC3)O2)cc1 | 10.1016/j.ejmech.2016.09.050 | ||
CHEMBL1183249 | 11891 | 0 | None | -14 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 291 | 6 | 1 | 4 | 2.7 | c1ccc(OCCNCC2COC3(CCCCC3)O2)cc1 | 10.1016/j.ejmech.2016.09.050 | ||
76326540 | 84914 | 0 | None | 1 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 2 | 4 | 4 | 1.3 | NC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
CHEMBL2261352 | 84914 | 0 | None | 1 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 2 | 4 | 4 | 1.3 | NC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
44431545 | 87653 | 0 | None | -20 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234669 | 87653 | 0 | None | -20 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
10650843 | 202151 | 0 | None | -57 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL68601 | 202151 | 0 | None | -57 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
9959671 | 32452 | 0 | None | -371 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL141322 | 32452 | 0 | None | -371 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
44299835 | 196725 | 0 | None | -117 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL57691 | 196725 | 0 | None | -117 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
196129 | 67456 | 12 | None | -691 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
CHEMBL1909065 | 67456 | 12 | None | -691 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
44431562 | 87546 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234194 | 87546 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | ||
10793720 | 202373 | 0 | None | -57 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 602 | 11 | 2 | 9 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1OC | 10.1021/jm9905918 | ||
CHEMBL70095 | 202373 | 0 | None | -57 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 602 | 11 | 2 | 9 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1OC | 10.1021/jm9905918 | ||
36811 | 1426 | 34 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
535 | 1426 | 34 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
937 | 1426 | 34 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
CHEMBL926 | 1426 | 34 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
DB00841 | 1426 | 34 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
24894141 | 186826 | 0 | None | -7 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
CHEMBL493697 | 186826 | 0 | None | -7 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
10747021 | 120507 | 0 | None | -81 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 670 | 8 | 2 | 5 | 7.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL356571 | 120507 | 0 | None | -81 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 670 | 8 | 2 | 5 | 7.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
185076 | 186507 | 4 | None | -147 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL49137 | 186507 | 4 | None | -147 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
44426404 | 85200 | 0 | None | -4 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228333 | 85200 | 0 | None | -4 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | ||
11000184 | 12941 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL1190038 | 12941 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL540035 | 12941 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
155557696 | 175865 | 0 | None | -12 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 3.8 | OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4558985 | 175865 | 0 | None | -12 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 3.8 | OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4596295 | 175865 | 0 | None | -12 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 3.8 | OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
46881443 | 5514 | 0 | None | -21 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL1077168 | 5514 | 0 | None | -21 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1 | 10.1016/j.bmcl.2010.01.030 | ||
10841296 | 36226 | 0 | None | -85 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 601 | 8 | 0 | 7 | 6.1 | COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(C(=O)OC)(c4ccccc4)CC3)c2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL144731 | 36226 | 0 | None | -85 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 601 | 8 | 0 | 7 | 6.1 | COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(C(=O)OC)(c4ccccc4)CC3)c2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
1547484 | 927 | 70 | None | -9 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
654 | 927 | 70 | None | -9 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
9072 | 927 | 70 | None | -9 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL43064 | 927 | 70 | None | -9 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB00568 | 927 | 70 | None | -9 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
3158 | 55974 | 21 | None | -398 | 20 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
CHEMBL1628227 | 55974 | 21 | None | -398 | 20 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
10606659 | 100068 | 0 | None | -7 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 3.4 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | ||
CHEMBL291305 | 100068 | 0 | None | -7 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 3.4 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | ||
10437624 | 120758 | 0 | None | -954 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 553 | 10 | 1 | 7 | 4.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL357828 | 120758 | 0 | None | -954 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 553 | 10 | 1 | 7 | 4.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
21509921 | 103979 | 0 | None | -58 | 24 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104091 | 103979 | 0 | None | -58 | 24 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
19085858 | 103675 | 0 | None | -1023 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 7 | 0 | 8 | 3.6 | CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL309518 | 103675 | 0 | None | -1023 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 7 | 0 | 8 | 3.6 | CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | ||
10839105 | 205092 | 0 | None | -3235 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
CHEMBL90421 | 205092 | 0 | None | -3235 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
2803 | 941 | 53 | None | -6 | 19 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
516 | 941 | 53 | None | -6 | 19 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
704 | 941 | 53 | None | -6 | 19 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
CHEMBL134 | 941 | 53 | None | -6 | 19 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
DB00575 | 941 | 53 | None | -6 | 19 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
21509921 | 103979 | 0 | None | -58 | 24 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104091 | 103979 | 0 | None | -58 | 24 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
11177467 | 100604 | 0 | None | -6 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 5 | 0 | 6 | 2.8 | CC1CN(c2ccccc2[N+](=O)[O-])CCN1CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
CHEMBL294829 | 100604 | 0 | None | -6 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 5 | 0 | 6 | 2.8 | CC1CN(c2ccccc2[N+](=O)[O-])CCN1CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
6726 | 1254 | 46 | None | -11 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
7151 | 1254 | 46 | None | -11 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
749 | 1254 | 46 | None | -11 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL648 | 1254 | 46 | None | -11 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
DB01176 | 1254 | 46 | None | -11 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
11140347 | 202828 | 0 | None | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL72768 | 202828 | 0 | None | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
145960918 | 160981 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 427 | 3 | 1 | 7 | 3.2 | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
CHEMBL4128460 | 160981 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 427 | 3 | 1 | 7 | 3.2 | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
2284 | 3133 | 27 | None | -3 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
4926 | 3133 | 27 | None | -3 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
7281 | 3133 | 27 | None | -3 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
CHEMBL564 | 3133 | 27 | None | -3 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
DB00420 | 3133 | 27 | None | -3 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
44431607 | 87056 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL233407 | 87056 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
499 | 4014 | 15 | None | -9 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | ||
5685 | 4014 | 15 | None | -9 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | ||
CHEMBL25554 | 4014 | 15 | None | -9 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | ||
10095156 | 78134 | 0 | None | -1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL2112073 | 78134 | 0 | None | -1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
44431546 | 87713 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL234679 | 87713 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0307741 | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0307741 | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0307741 | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm960697s | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm960697s | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm960697s | ||
46882034 | 5724 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 433 | 10 | 1 | 5 | 4.8 | CC(C)Oc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL1078773 | 5724 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 433 | 10 | 1 | 5 | 4.8 | CC(C)Oc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
56946474 | 71172 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.8 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | ||
CHEMBL1946779 | 71172 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.8 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | ||
CHEMBL1962769 | 71172 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.8 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | ||
10599007 | 202810 | 0 | None | -19 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1021/jm960069a | ||
CHEMBL72657 | 202810 | 0 | None | -19 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1021/jm960069a | ||
10048729 | 188554 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 437 | 5 | 1 | 8 | 2.5 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O | 10.1021/jm981006q | ||
CHEMBL51074 | 188554 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 437 | 5 | 1 | 8 | 2.5 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O | 10.1021/jm981006q | ||
49781453 | 17685 | 0 | None | -16 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 386 | 2 | 0 | 3 | 5.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccc4)cc32)CC1 | 10.1021/jm100652h | ||
CHEMBL1259043 | 17685 | 0 | None | -16 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 386 | 2 | 0 | 3 | 5.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccc4)cc32)CC1 | 10.1021/jm100652h | ||
10553701 | 99832 | 0 | None | -1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C#N)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL289166 | 99832 | 0 | None | -1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C#N)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
16121006 | 11736 | 0 | None | -316 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL1182182 | 11736 | 0 | None | -316 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
CHEMBL217469 | 11736 | 0 | None | -316 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
46881494 | 6530 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 4.7 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL1083182 | 6530 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 4.7 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
16121006 | 11736 | 0 | None | -316 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL1182182 | 11736 | 0 | None | -316 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL217469 | 11736 | 0 | None | -316 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
44433348 | 89832 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL238401 | 89832 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | ||
46882085 | 5738 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | CCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL1078953 | 5738 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | CCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
10530732 | 167488 | 0 | None | 1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 515 | 4 | 1 | 6 | 4.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
CHEMBL43234 | 167488 | 0 | None | 1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 515 | 4 | 1 | 6 | 4.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
11857863 | 85256 | 0 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228658 | 85256 | 0 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
44330880 | 206410 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.6 | O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL98168 | 206410 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.6 | O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
10939209 | 205897 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 445 | 6 | 2 | 5 | 3.5 | CCC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL95191 | 205897 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 445 | 6 | 2 | 5 | 3.5 | CCC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | ||
10839106 | 111105 | 0 | None | -30 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
CHEMBL328268 | 111105 | 0 | None | -30 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
10481087 | 168899 | 0 | None | -602 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 499 | 8 | 1 | 3 | 6.2 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3Cl)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL44294 | 168899 | 0 | None | -602 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 499 | 8 | 1 | 3 | 6.2 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3Cl)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
18738382 | 15098 | 0 | None | -33 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 399 | 8 | 0 | 5 | 2.7 | CC(C)Oc1ccccc1N1CCN(C/C=C/C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
CHEMBL12127 | 15098 | 0 | None | -33 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 399 | 8 | 0 | 5 | 2.7 | CC(C)Oc1ccccc1N1CCN(C/C=C/C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
33630 | 178379 | 94 | None | -10 | 27 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL47050 | 178379 | 94 | None | -10 | 27 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
9894818 | 98468 | 0 | None | -138 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
CHEMBL279436 | 98468 | 0 | None | -138 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
12039032 | 97810 | 0 | None | -14 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 9 | 0 | 6 | 2.1 | CC(C)Oc1ccccc1N1CCN(CC(=O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
CHEMBL274529 | 97810 | 0 | None | -14 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 9 | 0 | 6 | 2.1 | CC(C)Oc1ccccc1N1CCN(CC(=O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
10745305 | 36905 | 0 | None | -169 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 553 | 9 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL145278 | 36905 | 0 | None | -169 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 553 | 9 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
10816903 | 37460 | 0 | None | -38 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 571 | 8 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL145756 | 37460 | 0 | None | -38 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 571 | 8 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
10745870 | 36488 | 0 | None | -3090 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 9 | 2 | 7 | 2.8 | COC(=O)C1=C(C)NC(=O)N(CC(=O)NCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL144938 | 36488 | 0 | None | -3090 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 9 | 2 | 7 | 2.8 | COC(=O)C1=C(C)NC(=O)N(CC(=O)NCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
1443 | 1997 | 30 | None | -27 | 10 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
33625 | 1997 | 30 | None | -27 | 10 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
501 | 1997 | 30 | None | -27 | 10 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
CHEMBL279516 | 1997 | 30 | None | -27 | 10 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
DB08950 | 1997 | 30 | None | -27 | 10 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
10841387 | 99157 | 0 | None | -190 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
CHEMBL284103 | 99157 | 0 | None | -190 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
10841387 | 99157 | 0 | None | -190 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
CHEMBL284103 | 99157 | 0 | None | -190 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
9830741 | 206120 | 1 | None | -316 | 7 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | ||
CHEMBL96467 | 206120 | 1 | None | -316 | 7 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | ||
10792898 | 202247 | 0 | None | -93 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
CHEMBL69295 | 202247 | 0 | None | -93 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
145946292 | 166943 | 0 | None | 19 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)[C@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4210954 | 166943 | 0 | None | 19 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)[C@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4299802 | 166943 | 0 | None | 19 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)[C@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
16041091 | 94777 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL256041 | 94777 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
10767606 | 205718 | 0 | None | -870 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.6 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
CHEMBL94188 | 205718 | 0 | None | -870 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.6 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
73346042 | 91402 | 3 | None | -630 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
CHEMBL2413153 | 91402 | 3 | None | -630 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
56668277 | 62850 | 0 | None | -616 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL1789975 | 62850 | 0 | None | -616 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
10555024 | 121375 | 0 | None | -3090 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 568 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL359012 | 121375 | 0 | None | -3090 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 568 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
10626686 | 202616 | 0 | None | -7 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL71473 | 202616 | 0 | None | -7 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
53328506 | 63065 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.4 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796040 | 63065 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.4 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
497 | 3313 | 6 | None | -61 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/s0960-894x(03)00305-6 | ||
9872515 | 3313 | 6 | None | -61 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL24777 | 3313 | 6 | None | -61 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/s0960-894x(03)00305-6 | ||
44213730 | 193983 | 0 | None | -7 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 1.3 | O=c1[nH]cc(CO)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL55645 | 193983 | 0 | None | -7 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 1.3 | O=c1[nH]cc(CO)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL179334 | 62973 | 0 | None | -3467 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
9809007 | 171996 | 6 | None | -407 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9902032 | ||
CHEMBL448620 | 171996 | 6 | None | -407 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9902032 | ||
10739024 | 69490 | 0 | None | -25 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
CHEMBL19376 | 69490 | 0 | None | -25 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
10697623 | 106683 | 0 | None | -3467 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 536 | 7 | 2 | 5 | 3.6 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
CHEMBL316358 | 106683 | 0 | None | -3467 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 536 | 7 | 2 | 5 | 3.6 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
44390708 | 63940 | 0 | None | -1230 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1021/jm960697s | ||
CHEMBL180932 | 63940 | 0 | None | -1230 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1021/jm960697s | ||
119204 | 183687 | 37 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 279 | 0 | 0 | 3 | 3.2 | CN1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 | 10.1039/C7MD00629B | ||
CHEMBL483825 | 183687 | 37 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 279 | 0 | 0 | 3 | 3.2 | CN1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 | 10.1039/C7MD00629B | ||
53328116 | 63054 | 0 | None | 3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.4 | O=C1CC(c2ccccc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796029 | 63054 | 0 | None | 3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.4 | O=C1CC(c2ccccc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
71817545 | 91692 | 0 | None | -208 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
CHEMBL2419765 | 91692 | 0 | None | -208 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
44288857 | 168218 | 0 | None | -83 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL43749 | 168218 | 0 | None | -83 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
44431613 | 87154 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 529 | 10 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL233584 | 87154 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 529 | 10 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
16041451 | 97359 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL271913 | 97359 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
11757736 | 33525 | 0 | None | -1288 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 570 | 9 | 2 | 6 | 4.3 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL142243 | 33525 | 0 | None | -1288 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 570 | 9 | 2 | 6 | 4.3 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
19085839 | 204068 | 0 | None | -208 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL83041 | 204068 | 0 | None | -208 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
71062708 | 153772 | 0 | None | -37 | 12 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 368 | 7 | 0 | 5 | 2.8 | COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
CHEMBL3986651 | 153772 | 0 | None | -37 | 12 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 368 | 7 | 0 | 5 | 2.8 | COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
11277157 | 9291 | 0 | None | 1 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 267 | 5 | 2 | 4 | 1.0 | CCS(=O)(=O)Nc1cccc(CC2CN=CN2)c1 | 10.1021/jm030551a | ||
CHEMBL111412 | 9291 | 0 | None | 1 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 267 | 5 | 2 | 4 | 1.0 | CCS(=O)(=O)Nc1cccc(CC2CN=CN2)c1 | 10.1021/jm030551a | ||
10650129 | 37275 | 0 | None | -162 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 540 | 10 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL145587 | 37275 | 0 | None | -162 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 540 | 10 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
10506673 | 202227 | 0 | None | -72 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.2 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL69143 | 202227 | 0 | None | -72 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.2 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1 | 10.1021/jm9905918 | ||
127046694 | 139232 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 338 | 4 | 3 | 4 | 1.5 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccc(C(N)=O)c(Cl)c1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3798527 | 139232 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 338 | 4 | 3 | 4 | 1.5 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccc(C(N)=O)c(Cl)c1 | 10.1021/acs.jmedchem.5b01528 | ||
145946451 | 166977 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 6 | 1 | 2 | 4.3 | Fc1ccc(Cl)c(OCCNCc2cccc(Cl)c2)c1 | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4218360 | 166977 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 6 | 1 | 2 | 4.3 | Fc1ccc(Cl)c(OCCNCc2cccc(Cl)c2)c1 | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4300209 | 166977 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 6 | 1 | 2 | 4.3 | Fc1ccc(Cl)c(OCCNCc2cccc(Cl)c2)c1 | 10.1016/j.ejmech.2017.07.071 | ||
10318686 | 103806 | 0 | None | -60 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 398 | 7 | 0 | 6 | 2.9 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
CHEMBL309969 | 103806 | 0 | None | -60 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 398 | 7 | 0 | 6 | 2.9 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
15546405 | 96710 | 0 | None | -12 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 416 | 8 | 0 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
CHEMBL268030 | 96710 | 0 | None | -12 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 416 | 8 | 0 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
44431574 | 145737 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL392066 | 145737 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
9828476 | 205197 | 0 | None | -288 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL91022 | 205197 | 0 | None | -288 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
9809007 | 171996 | 6 | None | -407 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
CHEMBL448620 | 171996 | 6 | None | -407 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
25131193 | 85763 | 0 | None | -46 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL2312225 | 85763 | 0 | None | -46 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | ||
24894141 | 186826 | 0 | None | -7 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | ||
CHEMBL493697 | 186826 | 0 | None | -7 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | ||
25131193 | 85763 | 0 | None | -46 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
CHEMBL2312225 | 85763 | 0 | None | -46 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
44300159 | 101365 | 0 | None | -275 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL300355 | 101365 | 0 | None | -275 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
9830292 | 167626 | 0 | None | -1778 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL433284 | 167626 | 0 | None | -1778 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
174174 | 519 | 46 | None | -2041 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
260 | 519 | 46 | None | -2041 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
320 | 519 | 46 | None | -2041 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
CHEMBL517712 | 519 | 46 | None | -2041 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
DB00572 | 519 | 46 | None | -2041 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
133 | 2460 | 48 | None | -41 | 42 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
1723 | 2460 | 48 | None | -41 | 42 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
28693 | 2460 | 48 | None | -41 | 42 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
CHEMBL19215 | 2460 | 48 | None | -41 | 42 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
DB13520 | 2460 | 48 | None | -41 | 42 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
6075 | 149575 | 36 | None | -4 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
CHEMBL395110 | 149575 | 36 | None | -4 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
44331277 | 4409 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.9 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL101869 | 4409 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.9 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
53328508 | 63067 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 466 | 8 | 0 | 7 | 3.0 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796042 | 63067 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 466 | 8 | 0 | 7 | 3.0 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
56945167 | 71171 | 0 | None | -85 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1 | 10.1021/jm200421e | ||
CHEMBL1946788 | 71171 | 0 | None | -85 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1 | 10.1021/jm200421e | ||
CHEMBL1962757 | 71171 | 0 | None | -85 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1 | 10.1021/jm200421e | ||
56945165 | 71174 | 0 | None | -120 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1 | 10.1021/jm200421e | ||
CHEMBL1946787 | 71174 | 0 | None | -120 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1 | 10.1021/jm200421e | ||
CHEMBL1962770 | 71174 | 0 | None | -120 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1 | 10.1021/jm200421e | ||
11350440 | 193876 | 0 | None | 1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 411 | 7 | 1 | 4 | 4.0 | CN(CCNc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
CHEMBL55460 | 193876 | 0 | None | 1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 411 | 7 | 1 | 4 | 4.0 | CN(CCNc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
10719222 | 205714 | 0 | None | -398 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 472 | 7 | 3 | 3 | 3.7 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
CHEMBL94167 | 205714 | 0 | None | -398 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 472 | 7 | 3 | 3 | 3.7 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
9959671 | 32452 | 0 | None | -371 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL141322 | 32452 | 0 | None | -371 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
10554957 | 32774 | 0 | None | -1698 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C(C)=N1 | 10.1021/jm9902032 | ||
CHEMBL141604 | 32774 | 0 | None | -1698 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C(C)=N1 | 10.1021/jm9902032 | ||
9797396 | 12772 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
CHEMBL1188811 | 12772 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
CHEMBL537428 | 12772 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
44324405 | 205034 | 0 | None | -1023 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.9 | CN1C=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
CHEMBL90086 | 205034 | 0 | None | -1023 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.9 | CN1C=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
53328505 | 63064 | 0 | None | -2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796039 | 63064 | 0 | None | -2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
155534933 | 171423 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.6 | COc1ccccc1OCCNCC1(c2ccccc2)COCCO1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL4471113 | 171423 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.6 | COc1ccccc1OCCNCC1(c2ccccc2)COCCO1 | 10.1016/j.ejmech.2019.02.056 | ||
10554745 | 37001 | 0 | None | -165 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 552 | 10 | 1 | 6 | 4.9 | COC(=O)C1(c2ccccc2)CCN(CCCCCN2C(C)=NC(C)=C(C(N)=O)C2c2ccc(F)cc2F)CC1 | 10.1021/jm9902032 | ||
CHEMBL145353 | 37001 | 0 | None | -165 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 552 | 10 | 1 | 6 | 4.9 | COC(=O)C1(c2ccccc2)CCN(CCCCCN2C(C)=NC(C)=C(C(N)=O)C2c2ccc(F)cc2F)CC1 | 10.1021/jm9902032 | ||
44294958 | 187747 | 0 | None | -301 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 554 | 7 | 3 | 7 | 1.9 | NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
CHEMBL50081 | 187747 | 0 | None | -301 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 554 | 7 | 3 | 7 | 1.9 | NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
53328503 | 63062 | 0 | None | -6 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 3.4 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796037 | 63062 | 0 | None | -6 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 3.4 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
11334596 | 9330 | 0 | None | 1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 1.9 | CC(c1cccc(NS(C)(=O)=O)c1)c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL111682 | 9330 | 0 | None | 1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 1.9 | CC(c1cccc(NS(C)(=O)=O)c1)c1c[nH]cn1 | 10.1021/jm030551a | ||
44431564 | 147827 | 0 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL393725 | 147827 | 0 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
155563002 | 176094 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4570387 | 176094 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4598207 | 176094 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
52944615 | 16928 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 431 | 11 | 1 | 4 | 5.6 | Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
CHEMBL1255002 | 16928 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 431 | 11 | 1 | 4 | 5.6 | Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
118716715 | 114511 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 521 | 6 | 0 | 7 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342868 | 114511 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 521 | 6 | 0 | 7 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
44268966 | 33218 | 0 | None | -5 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL14199 | 33218 | 0 | None | -5 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
11857639 | 143352 | 0 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL390184 | 143352 | 0 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
44420423 | 83591 | 0 | None | 4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 4.3 | Cc1nc2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
CHEMBL220717 | 83591 | 0 | None | 4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 4.3 | Cc1nc2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
155557792 | 174113 | 0 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL4559278 | 174113 | 0 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | ||
76326562 | 105725 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL2261608 | 105725 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
CHEMBL3138761 | 105725 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
44428847 | 91861 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
CHEMBL242723 | 91861 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
10787126 | 84147 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153558 | 84147 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2220897 | 84147 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
59151583 | 139370 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 275 | 3 | 2 | 3 | 2.1 | Cc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799420 | 139370 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 275 | 3 | 2 | 3 | 2.1 | Cc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | ||
44299975 | 101418 | 0 | None | -4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL300766 | 101418 | 0 | None | -4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
11224478 | 196939 | 0 | None | 21 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 441 | 4 | 0 | 4 | 3.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2F)CC1 | 10.1021/jm030944+ | ||
CHEMBL57882 | 196939 | 0 | None | 21 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 441 | 4 | 0 | 4 | 3.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2F)CC1 | 10.1021/jm030944+ | ||
2142 | 3047 | 54 | None | -5 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
4920903 | 3047 | 54 | None | -5 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
502 | 3047 | 54 | None | -5 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
5775 | 3047 | 54 | None | -5 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
CHEMBL597 | 3047 | 54 | None | -5 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
DB00692 | 3047 | 54 | None | -5 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
44288359 | 155205 | 0 | None | 1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 461 | 5 | 1 | 6 | 4.0 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
CHEMBL40564 | 155205 | 0 | None | 1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 461 | 5 | 1 | 6 | 4.0 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
9906677 | 100576 | 0 | None | 11 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.3 | O=C1CCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
CHEMBL294646 | 100576 | 0 | None | 11 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.3 | O=C1CCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
10478121 | 170235 | 0 | None | -14 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
CHEMBL445325 | 170235 | 0 | None | -14 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
9865254 | 68333 | 0 | None | 6 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1 | 10.1021/jm0491391 | ||
CHEMBL192099 | 68333 | 0 | None | 6 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1 | 10.1021/jm0491391 | ||
11016418 | 105642 | 0 | None | -12 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 488 | 6 | 0 | 7 | 4.2 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
CHEMBL313424 | 105642 | 0 | None | -12 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 488 | 6 | 0 | 7 | 4.2 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
10617200 | 26229 | 0 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
CHEMBL135973 | 26229 | 0 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
44298626 | 193806 | 0 | None | -25 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 427 | 7 | 1 | 7 | 1.4 | Cc1n[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
CHEMBL55290 | 193806 | 0 | None | -25 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 427 | 7 | 1 | 7 | 1.4 | Cc1n[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
11857794 | 85241 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228553 | 85241 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | ||
10507220 | 120763 | 0 | None | -1380 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | ||
CHEMBL357842 | 120763 | 0 | None | -1380 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | ||
9904606 | 9296 | 0 | None | -8 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 2.3 | CN(c1cccc2c1CCCC2c1c[nH]cn1)S(C)(=O)=O | 10.1021/jm030551a | ||
CHEMBL111463 | 9296 | 0 | None | -8 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 2.3 | CN(c1cccc2c1CCCC2c1c[nH]cn1)S(C)(=O)=O | 10.1021/jm030551a | ||
441383 | 20133 | 54 | None | -9 | 17 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
CHEMBL1306 | 20133 | 54 | None | -9 | 17 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
19085829 | 204131 | 0 | None | -263 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2cc(F)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL83592 | 204131 | 0 | None | -263 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2cc(F)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
11440979 | 195983 | 0 | None | 8 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 400 | 5 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
CHEMBL57098 | 195983 | 0 | None | 8 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 400 | 5 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
10622830 | 101953 | 0 | None | -5 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 6 | 1 | 6 | 3.2 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CN2 | 10.1021/jm000541z | ||
CHEMBL303988 | 101953 | 0 | None | -5 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 6 | 1 | 6 | 3.2 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CN2 | 10.1021/jm000541z | ||
10791843 | 162848 | 0 | None | -309 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
CHEMBL419497 | 162848 | 0 | None | -309 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
44289112 | 164345 | 0 | None | -93 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 495 | 9 | 1 | 4 | 5.5 | COc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL42220 | 164345 | 0 | None | -93 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 495 | 9 | 1 | 4 | 5.5 | COc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
10578990 | 202144 | 0 | None | -48 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O | 10.1021/jm9905918 | ||
CHEMBL68565 | 202144 | 0 | None | -48 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O | 10.1021/jm9905918 | ||
16041092 | 94936 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL256804 | 94936 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
518 | 3555 | 1 | None | -5 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
9839317 | 3555 | 1 | None | -5 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
CHEMBL123138 | 3555 | 1 | None | -5 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
53328507 | 63066 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796041 | 63066 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
25130878 | 186694 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2COC[C@H](c3ccccc3)O2)cc1 | 10.1021/jm800461k | ||
CHEMBL492835 | 186694 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2COC[C@H](c3ccccc3)O2)cc1 | 10.1021/jm800461k | ||
71521478 | 85764 | 0 | None | -1318 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
CHEMBL2312226 | 85764 | 0 | None | -1318 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
44329027 | 4104 | 0 | None | -37 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL100045 | 4104 | 0 | None | -37 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
19085926 | 203832 | 0 | None | -724 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL81006 | 203832 | 0 | None | -724 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | ||
9872440 | 101796 | 0 | None | -81 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1cccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)c1 | 10.1021/jm9905918 | ||
CHEMBL303248 | 101796 | 0 | None | -81 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1cccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)c1 | 10.1021/jm9905918 | ||
9934955 | 71932 | 0 | None | -20 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
CHEMBL19826 | 71932 | 0 | None | -20 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
16040907 | 97434 | 0 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL272340 | 97434 | 0 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
56649649 | 67515 | 0 | None | -85 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 0 | 5 | 4.6 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
CHEMBL1910140 | 67515 | 0 | None | -85 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 0 | 5 | 4.6 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
11474564 | 101135 | 0 | None | 31 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(C)c1 | 10.1021/jm030944+ | ||
CHEMBL298808 | 101135 | 0 | None | 31 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(C)c1 | 10.1021/jm030944+ | ||
2812 | 4711 | 96 | None | -40 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
CHEMBL104 | 4711 | 96 | None | -40 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
9916549 | 121050 | 0 | None | -1023 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
CHEMBL358595 | 121050 | 0 | None | -1023 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
10508016 | 205427 | 0 | None | -20 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | ||
CHEMBL92322 | 205427 | 0 | None | -20 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | ||
2105 | 3005 | 34 | None | -316 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
47811 | 3005 | 34 | None | -316 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
48 | 3005 | 34 | None | -316 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
CHEMBL531 | 3005 | 34 | None | -316 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
DB01186 | 3005 | 34 | None | -316 | 33 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
19085881 | 204054 | 0 | None | -478 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL82877 | 204054 | 0 | None | -478 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
9915831 | 101634 | 0 | None | -50 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL302246 | 101634 | 0 | None | -50 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
9960311 | 202166 | 0 | None | -25 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 598 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(C)(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
CHEMBL68699 | 202166 | 0 | None | -25 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 598 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(C)(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
53328873 | 63074 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796049 | 63074 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
155536203 | 175833 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4473623 | 175833 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4596045 | 175833 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
44362867 | 37414 | 0 | None | -165 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 658 | 8 | 2 | 5 | 6.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3cc(C)cc(C)c3)(c3cc(C)cc(C)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL145719 | 37414 | 0 | None | -165 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 658 | 8 | 2 | 5 | 6.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3cc(C)cc(C)c3)(c3cc(C)cc(C)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
10841387 | 99157 | 0 | None | -190 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
CHEMBL284103 | 99157 | 0 | None | -190 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
118717462 | 114646 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343984 | 114646 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
9817256 | 202536 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
CHEMBL71001 | 202536 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
118717462 | 114646 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
CHEMBL3343984 | 114646 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
19085914 | 204111 | 0 | None | -1174 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL83340 | 204111 | 0 | None | -1174 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | ||
44431618 | 144371 | 0 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL391017 | 144371 | 0 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
53328687 | 63072 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 483 | 8 | 0 | 5 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796047 | 63072 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 483 | 8 | 0 | 5 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
9934955 | 71932 | 0 | None | -22 | 6 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
CHEMBL19826 | 71932 | 0 | None | -22 | 6 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
9809007 | 171996 | 6 | None | -407 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
CHEMBL448620 | 171996 | 6 | None | -407 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
10769621 | 118488 | 0 | None | -2570 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC(C)=O)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL342543 | 118488 | 0 | None | -2570 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC(C)=O)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
10626843 | 168100 | 0 | None | -158 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 568 | 10 | 0 | 8 | 5.0 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL436407 | 168100 | 0 | None | -158 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 568 | 10 | 0 | 8 | 5.0 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
463 | 1378 | 17 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
6918097 | 1378 | 17 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
837 | 1378 | 17 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
CHEMBL2051956 | 1378 | 17 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
DB14068 | 1378 | 17 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
10621592 | 84148 | 0 | None | -13 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153559 | 84148 | 0 | None | -13 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2220898 | 84148 | 0 | None | -13 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
75306277 | 108767 | 0 | None | -398 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
CHEMBL3217984 | 108767 | 0 | None | -398 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
10089254 | 99519 | 0 | None | -50 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 350 | 7 | 1 | 3 | 3.5 | O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 | 10.1021/jm960697s | ||
CHEMBL286591 | 99519 | 0 | None | -50 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 350 | 7 | 1 | 3 | 3.5 | O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 | 10.1021/jm960697s | ||
118716704 | 114499 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 423 | 5 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342857 | 114499 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 423 | 5 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
44268966 | 33218 | 0 | None | -6 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
CHEMBL14199 | 33218 | 0 | None | -6 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
11505007 | 89833 | 0 | None | 4 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL238402 | 89833 | 0 | None | 4 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
10822173 | 119798 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.3 | CCC(c1c[nH]cn1)c1sccc1C | 10.1021/jm0003891 | ||
CHEMBL1744267 | 119798 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.3 | CCC(c1c[nH]cn1)c1sccc1C | 10.1021/jm0003891 | ||
CHEMBL352746 | 119798 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.3 | CCC(c1c[nH]cn1)c1sccc1C | 10.1021/jm0003891 | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
59151621 | 139323 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.3 | N#Cc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799166 | 139323 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.3 | N#Cc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
46934789 | 16512 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
CHEMBL1242819 | 16512 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
44431602 | 147061 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL393104 | 147061 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
11857862 | 141522 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL387833 | 141522 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
2419 | 688 | 22 | None | -3 | 12 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm030944+ | ||
9 | 688 | 22 | None | -3 | 12 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm030944+ | ||
CHEMBL13647 | 688 | 22 | None | -3 | 12 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm030944+ | ||
144096995 | 163944 | 0 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 371 | 8 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4214499 | 163944 | 0 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 371 | 8 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
9848303 | 111092 | 0 | None | -2 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1016/j.bmc.2012.10.049 | ||
CHEMBL328187 | 111092 | 0 | None | -2 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1016/j.bmc.2012.10.049 | ||
9848303 | 111092 | 0 | None | -2 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1021/jm100652h | ||
CHEMBL328187 | 111092 | 0 | None | -2 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1021/jm100652h | ||
44288468 | 167817 | 0 | None | -1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | ||
CHEMBL434591 | 167817 | 0 | None | -1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | ||
59151563 | 139309 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 291 | 4 | 2 | 4 | 1.8 | COc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799089 | 139309 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 291 | 4 | 2 | 4 | 1.8 | COc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | ||
16040907 | 97434 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL272340 | 97434 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
10678591 | 58773 | 4 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 164 | 2 | 1 | 2 | 2.1 | c1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | ||
CHEMBL1203849 | 58773 | 4 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 164 | 2 | 1 | 2 | 2.1 | c1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | ||
CHEMBL169599 | 58773 | 4 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 164 | 2 | 1 | 2 | 2.1 | c1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | ||
11394353 | 100422 | 0 | None | 9 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 4.1 | Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1 | 10.1021/jm030944+ | ||
CHEMBL293734 | 100422 | 0 | None | 9 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 4.1 | Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1 | 10.1021/jm030944+ | ||
73453 | 29403 | 22 | None | -12 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
CHEMBL1385840 | 29403 | 22 | None | -12 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
11857861 | 193112 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL538397 | 193112 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
71454865 | 84180 | 0 | None | -8 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2153551 | 84180 | 0 | None | -8 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
CHEMBL2221145 | 84180 | 0 | None | -8 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
9866614 | 14546 | 1 | None | -120 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 9 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
CHEMBL12062 | 14546 | 1 | None | -120 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 9 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
10393665 | 33700 | 0 | None | -151 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
CHEMBL142383 | 33700 | 0 | None | -151 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
10767607 | 106645 | 0 | None | -4786 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.4 | N#CC1(c2ccc(F)cc2)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
CHEMBL316100 | 106645 | 0 | None | -4786 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.4 | N#CC1(c2ccc(F)cc2)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
487 | 3577 | 17 | None | -218 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | ||
60602 | 3577 | 17 | None | -218 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | ||
CHEMBL405355 | 3577 | 17 | None | -218 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | ||
DB09239 | 3577 | 17 | None | -218 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | ||
59151612 | 139107 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 241 | 2 | 2 | 3 | 1.8 | CC(C)(C)Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3797685 | 139107 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 241 | 2 | 2 | 3 | 1.8 | CC(C)(C)Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | ||
71817861 | 101933 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
CHEMBL3039699 | 101933 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
CHEMBL3217244 | 101933 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
71521480 | 85834 | 0 | None | -208 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | ||
CHEMBL2312538 | 85834 | 0 | None | -208 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | ||
11782656 | 28870 | 0 | None | -436 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 9 | 1 | 4 | 3.8 | COc1cccc2c(CCCNCCOc3ccccn3)cccc12 | 10.1021/jm010866v | ||
CHEMBL138109 | 28870 | 0 | None | -436 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 9 | 1 | 4 | 3.8 | COc1cccc2c(CCCNCCOc3ccccn3)cccc12 | 10.1021/jm010866v | ||
10622156 | 198385 | 0 | None | -1 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 422 | 6 | 0 | 5 | 3.7 | COc1cc2c(cc1OC)CN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | ||
CHEMBL59575 | 198385 | 0 | None | -1 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 422 | 6 | 0 | 5 | 3.7 | COc1cc2c(cc1OC)CN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | ||
10297 | 26905 | 29 | None | -31 | 43 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | 10.1021/jm025550h | ||
CHEMBL136560 | 26905 | 29 | None | -31 | 43 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | 10.1021/jm025550h | ||
2435 | 714 | 98 | None | -28 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
395 | 714 | 98 | None | -28 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
520 | 714 | 98 | None | -28 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
5386 | 714 | 98 | None | -28 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
CHEMBL844 | 714 | 98 | None | -28 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
DB00484 | 714 | 98 | None | -28 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
9913449 | 105971 | 0 | None | -46 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL313990 | 105971 | 0 | None | -46 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
76319344 | 84913 | 0 | None | -29 | 3 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 289 | 2 | 3 | 5 | 2.0 | COC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
CHEMBL2261351 | 84913 | 0 | None | -29 | 3 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 289 | 2 | 3 | 5 | 2.0 | COC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
162265 | 200587 | 19 | None | -5 | 44 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | ||
4786 | 200587 | 19 | None | -5 | 44 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | ||
CHEMBL61006 | 200587 | 19 | None | -5 | 44 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | ||
162265 | 200587 | 19 | None | -5 | 44 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | ||
4786 | 200587 | 19 | None | -5 | 44 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | ||
CHEMBL61006 | 200587 | 19 | None | -5 | 44 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | ||
44426405 | 85242 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228554 | 85242 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | ||
11857862 | 85250 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
11857862 | 85250 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
CHEMBL228607 | 85250 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL228607 | 85250 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
145947479 | 167081 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 6 | 2 | 5 | 2.0 | NC(=O)c1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4210948 | 167081 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 6 | 2 | 5 | 2.0 | NC(=O)c1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4301647 | 167081 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 6 | 2 | 5 | 2.0 | NC(=O)c1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
11857639 | 85321 | 0 | None | -61 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
CHEMBL229084 | 85321 | 0 | None | -61 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
10603739 | 16212 | 0 | None | -109 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCC1=C(C(=O)OC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
CHEMBL123012 | 16212 | 0 | None | -109 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCC1=C(C(=O)OC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
155525650 | 176064 | 0 | None | -16 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4457585 | 176064 | 0 | None | -16 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4597956 | 176064 | 0 | None | -16 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
3191 | 102385 | 93 | None | -14 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
CHEMBL305660 | 102385 | 93 | None | -14 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
10916464 | 202452 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL70563 | 202452 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
2801 | 161325 | 56 | None | -1 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
CHEMBL1200710 | 161325 | 56 | None | -1 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
CHEMBL415 | 161325 | 56 | None | -1 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
127046608 | 139374 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 227 | 3 | 2 | 3 | 1.1 | N=c1c(C(N)=O)cccn1Cc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799440 | 139374 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 227 | 3 | 2 | 3 | 1.1 | N=c1c(C(N)=O)cccn1Cc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | ||
10601065 | 111816 | 0 | None | -954 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 488 | 7 | 4 | 4 | 2.8 | O=C1NC=C(C(=O)NCCCN2CCC(O)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
CHEMBL329143 | 111816 | 0 | None | -954 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 488 | 7 | 4 | 4 | 2.8 | O=C1NC=C(C(=O)NCCCN2CCC(O)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
10793261 | 120540 | 0 | None | -6165 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 3.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | ||
CHEMBL356829 | 120540 | 0 | None | -6165 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 3.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | ||
155515301 | 169400 | 0 | None | -7 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL4441888 | 169400 | 0 | None | -7 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | ||
118716711 | 114507 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CC2COC3(CCN(C(C)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342864 | 114507 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CC2COC3(CCN(C(C)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
44275526 | 98410 | 0 | None | -12 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 621 | 11 | 2 | 6 | 7.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC(C)C)cc1 | 10.1021/jm960697s | ||
CHEMBL27899 | 98410 | 0 | None | -12 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 621 | 11 | 2 | 6 | 7.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC(C)C)cc1 | 10.1021/jm960697s | ||
10032383 | 109621 | 0 | None | -812 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
136680387 | 109621 | 0 | None | -812 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL323579 | 109621 | 0 | None | -812 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44461012 | 103796 | 0 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 509 | 6 | 0 | 7 | 3.7 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc4c(cc32)CCCC4)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
CHEMBL309949 | 103796 | 0 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 509 | 6 | 0 | 7 | 3.7 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc4c(cc32)CCCC4)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
44273916 | 98373 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL278716 | 98373 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
9910451 | 163578 | 0 | None | -8 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 428 | 5 | 0 | 6 | 4.7 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
CHEMBL420997 | 163578 | 0 | None | -8 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 428 | 5 | 0 | 6 | 4.7 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
144096985 | 163542 | 0 | None | 4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 385 | 9 | 1 | 4 | 3.5 | CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4209590 | 163542 | 0 | None | 4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 385 | 9 | 1 | 4 | 3.5 | CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
10363912 | 6460 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
CHEMBL1082862 | 6460 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
CHEMBL286003 | 6460 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
10363912 | 6460 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL1082862 | 6460 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL286003 | 6460 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
10363912 | 6460 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL1082862 | 6460 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
CHEMBL286003 | 6460 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
10363912 | 6460 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | ||
CHEMBL1082862 | 6460 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | ||
CHEMBL286003 | 6460 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | ||
44431618 | 86638 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
CHEMBL232607 | 86638 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
57929588 | 139444 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 1.8 | CS(=O)(=O)c1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl | 10.1021/acs.jmedchem.5b01528 | ||
CHEMBL3799869 | 139444 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 1.8 | CS(=O)(=O)c1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl | 10.1021/acs.jmedchem.5b01528 | ||
49781677 | 17691 | 0 | None | -9 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1 | 10.1021/jm100652h | ||
CHEMBL1259063 | 17691 | 0 | None | -9 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1 | 10.1021/jm100652h | ||
145948065 | 167187 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1cccc2c1C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4217958 | 167187 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1cccc2c1C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
CHEMBL4302898 | 167187 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1cccc2c1C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
11465618 | 101926 | 18 | None | -35 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
CHEMBL3039528 | 101926 | 18 | None | -35 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
CHEMBL5191141 | 101926 | 18 | None | -35 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
118716719 | 114515 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 493 | 6 | 0 | 8 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
CHEMBL3342872 | 114515 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 493 | 6 | 0 | 8 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
10768829 | 118879 | 0 | None | -32 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 541 | 7 | 2 | 6 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
CHEMBL344525 | 118879 | 0 | None | -32 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 541 | 7 | 2 | 6 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
2286 | 3134 | 48 | None | -8 | 29 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
4927 | 3134 | 48 | None | -8 | 29 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
7282 | 3134 | 48 | None | -8 | 29 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
CHEMBL643 | 3134 | 48 | None | -8 | 29 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
DB01069 | 3134 | 48 | None | -8 | 29 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
10770007 | 34371 | 0 | None | -301 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCOC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
CHEMBL142957 | 34371 | 0 | None | -301 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCOC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
11802456 | 170393 | 0 | None | -912 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 584 | 9 | 3 | 7 | 2.9 | CCC1=C(C(=O)OC)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
CHEMBL445577 | 170393 | 0 | None | -912 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 584 | 9 | 3 | 7 | 2.9 | CCC1=C(C(=O)OC)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
14925759 | 157494 | 6 | None | -31 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
CHEMBL4085780 | 157494 | 6 | None | -31 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
10627094 | 120578 | 0 | None | -575 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 581 | 10 | 0 | 7 | 5.8 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
CHEMBL357131 | 120578 | 0 | None | -575 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 581 | 10 | 0 | 7 | 5.8 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
10816815 | 118850 | 0 | None | -2290 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 566 | 6 | 2 | 5 | 4.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
CHEMBL344339 | 118850 | 0 | None | -2290 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 566 | 6 | 2 | 5 | 4.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
11058166 | 202999 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
CHEMBL74114 | 202999 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
53328872 | 63073 | 0 | None | 3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 433 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796048 | 63073 | 0 | None | 3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 433 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
18738385 | 202029 | 0 | None | -181 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL67713 | 202029 | 0 | None | -181 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
1376848 | 202061 | 8 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 366 | 4 | 0 | 4 | 3.8 | COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
CHEMBL67932 | 202061 | 8 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 366 | 4 | 0 | 4 | 3.8 | COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
16041090 | 94949 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL256853 | 94949 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | ||
16041630 | 97098 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
CHEMBL270589 | 97098 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
71452768 | 79161 | 0 | None | -102 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
CHEMBL2114249 | 79161 | 0 | None | -102 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
240 | 931 | 39 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
2769 | 931 | 39 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
44279790 | 931 | 39 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
660 | 931 | 39 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL1729 | 931 | 39 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
CHEMBL560739 | 931 | 39 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
DB00604 | 931 | 39 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
10531476 | 34122 | 0 | None | -933 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 590 | 8 | 2 | 10 | 3.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc2nonc2c1 | 10.1021/jm990200p | ||
CHEMBL142743 | 34122 | 0 | None | -933 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 590 | 8 | 2 | 10 | 3.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc2nonc2c1 | 10.1021/jm990200p | ||
56945166 | 71184 | 0 | None | -9 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 4.4 | O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | ||
CHEMBL1946785 | 71184 | 0 | None | -9 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 4.4 | O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | ||
CHEMBL1962872 | 71184 | 0 | None | -9 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 4.4 | O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | ||
10746137 | 36723 | 0 | None | -177 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3F)CC2)C(=O)N1 | 10.1021/jm990201h | ||
CHEMBL145134 | 36723 | 0 | None | -177 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3F)CC2)C(=O)N1 | 10.1021/jm990201h | ||
2435 | 714 | 98 | None | -28 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
395 | 714 | 98 | None | -28 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
520 | 714 | 98 | None | -28 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
5386 | 714 | 98 | None | -28 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
CHEMBL844 | 714 | 98 | None | -28 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
DB00484 | 714 | 98 | None | -28 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
10065903 | 22102 | 0 | None | -251 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
CHEMBL132378 | 22102 | 0 | None | -251 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
44331169 | 167384 | 0 | None | -14 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 444 | 6 | 1 | 6 | 3.1 | COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL431631 | 167384 | 0 | None | -14 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 444 | 6 | 1 | 6 | 3.1 | COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | ||
136680386 | 205969 | 0 | None | -199 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44328801 | 205969 | 0 | None | -199 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
CHEMBL95578 | 205969 | 0 | None | -199 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
44299945 | 101456 | 0 | None | -41 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL301024 | 101456 | 0 | None | -41 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
155565219 | 175991 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4580335 | 175991 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
CHEMBL4597359 | 175991 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
155523275 | 170217 | 0 | None | -10 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@H]1OCCO[C@@H]1c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | ||
CHEMBL4452933 | 170217 | 0 | None | -10 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@H]1OCCO[C@@H]1c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | ||
134157330 | 153170 | 0 | None | -31 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 321 | 7 | 1 | 5 | 2.7 | COc1ccccc1OCCNCC1COC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | ||
CHEMBL3981480 | 153170 | 0 | None | -31 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 321 | 7 | 1 | 5 | 2.7 | COc1ccccc1OCCNCC1COC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | ||
11995036 | 11739 | 0 | None | -2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
CHEMBL1182196 | 11739 | 0 | None | -2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
CHEMBL218732 | 11739 | 0 | None | -2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
489 | 145 | 22 | None | -380 | 13 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
5640 | 145 | 22 | None | -380 | 13 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
CHEMBL420060 | 145 | 22 | None | -380 | 13 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
44288485 | 161970 | 0 | None | -104 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
CHEMBL41677 | 161970 | 0 | None | -104 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
44300107 | 100220 | 0 | None | -162 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
CHEMBL292365 | 100220 | 0 | None | -162 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
53328686 | 63070 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 469 | 7 | 0 | 5 | 4.0 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
CHEMBL1796045 | 63070 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 469 | 7 | 0 | 5 | 4.0 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
25130875 | 187044 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1 | 10.1021/jm800461k | ||
CHEMBL494908 | 187044 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1 | 10.1021/jm800461k | ||
11057 | 175575 | 19 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
3468 | 175575 | 19 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
CHEMBL459265 | 175575 | 19 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
CHEMBL64894 | 175575 | 19 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
44288485 | 161970 | 0 | None | -104 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | ||
CHEMBL41677 | 161970 | 0 | None | -104 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | ||
9879119 | 9355 | 0 | None | -43 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
CHEMBL111771 | 9355 | 0 | None | -43 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
9879119 | 9355 | 0 | None | -43 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
CHEMBL111771 | 9355 | 0 | None | -43 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
53248361 | 61753 | 0 | None | -63 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 568 | 7 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 | 10.1021/jm1009956 | ||
CHEMBL1774991 | 61753 | 0 | None | -63 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 568 | 7 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 | 10.1021/jm1009956 | ||
44331198 | 4393 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 357 | 3 | 0 | 2 | 5.2 | c1ccc2c(c1)CCC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
CHEMBL101739 | 4393 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 357 | 3 | 0 | 2 | 5.2 | c1ccc2c(c1)CCC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
60820 | 4243 | 12 | UNDEFINED | -1 | 13 | Human | 10.7 | pKi | = | 10.7 | Binding | PDSP KiDatabase | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | None | ||
CHEMBL10085 | 4243 | 12 | UNDEFINED | -1 | 13 | Human | 10.7 | pKi | = | 10.7 | Binding | PDSP KiDatabase | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | None | ||
129211 | 3692 | 75 | 3H-PRAZOSIN | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
2562 | 3692 | 75 | 3H-PRAZOSIN | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
488 | 3692 | 75 | 3H-PRAZOSIN | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
CHEMBL836 | 3692 | 75 | 3H-PRAZOSIN | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
DB00706 | 3692 | 75 | 3H-PRAZOSIN | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
4209 | 3114 | 71 | 3H-PRAZOSIN | -2 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | 3H-PRAZOSIN | -2 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | 3H-PRAZOSIN | -2 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | 3H-PRAZOSIN | -2 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | 3H-PRAZOSIN | -2 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | 3H-PRAZOSIN | -2 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
129211 | 3692 | 75 | 3H-PRAZOSIN | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
2562 | 3692 | 75 | 3H-PRAZOSIN | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
488 | 3692 | 75 | 3H-PRAZOSIN | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
CHEMBL836 | 3692 | 75 | 3H-PRAZOSIN | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
DB00706 | 3692 | 75 | 3H-PRAZOSIN | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214179 | 0 | UNDEFINED | 4 | 19 | Human | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
None | 214490 | 0 | 3H-PRAZOSIN | 66 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 555 | 7 | 1 | 9 | 4.3 | COC1=CC=CC2=C1C3CN(CC3CO2)CCCCN4C(=O)C5=C(C6=NC(=CN=C6S5)C7=CC=CC=C7)NC4=O | None | ||
129211 | 3692 | 75 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
2562 | 3692 | 75 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
488 | 3692 | 75 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
CHEMBL836 | 3692 | 75 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
DB00706 | 3692 | 75 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
4209 | 3114 | 71 | UNDEFINED | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | UNDEFINED | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | UNDEFINED | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | UNDEFINED | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | UNDEFINED | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | UNDEFINED | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
129211 | 3692 | 75 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
2562 | 3692 | 75 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
488 | 3692 | 75 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
CHEMBL836 | 3692 | 75 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
DB00706 | 3692 | 75 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
2726 | 906 | 64 | 125I-HEAT | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2726 | 906 | 64 | 3H-PRAZOSIN | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | 125I-HEAT | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | 3H-PRAZOSIN | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | 125I-HEAT | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | 3H-PRAZOSIN | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | 125I-HEAT | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | 3H-PRAZOSIN | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | 125I-HEAT | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | 3H-PRAZOSIN | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
4209 | 3114 | 71 | 125I-HEAT | -4 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | 125I-HEAT | -4 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | 125I-HEAT | -4 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | 125I-HEAT | -4 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | 125I-HEAT | -4 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | 125I-HEAT | -4 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4209 | 3114 | 71 | 125I-BE2254 | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | 125I-BE2254 | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | 125I-BE2254 | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | 125I-BE2254 | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | 125I-BE2254 | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | 125I-BE2254 | -2 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
489 | 145 | 22 | UNDEFINED | -22 | 13 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | ||
5640 | 145 | 22 | UNDEFINED | -22 | 13 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | ||
CHEMBL420060 | 145 | 22 | UNDEFINED | -22 | 13 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
3584 | 3718 | 60 | 3H-PRAZOSIN | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
5401 | 3718 | 60 | 3H-PRAZOSIN | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
7302 | 3718 | 60 | 3H-PRAZOSIN | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
CHEMBL611 | 3718 | 60 | 3H-PRAZOSIN | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
DB01162 | 3718 | 60 | 3H-PRAZOSIN | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
4209 | 3114 | 71 | 125I-BE2254 | -2 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | 125I-BE2254 | -2 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | 125I-BE2254 | -2 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | 125I-BE2254 | -2 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | 125I-BE2254 | -2 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | 125I-BE2254 | -2 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214490 | 0 | 3H-PRAZOSIN | 66 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 555 | 7 | 1 | 9 | 4.3 | COC1=CC=CC2=C1C3CN(CC3CO2)CCCCN4C(=O)C5=C(C6=NC(=CN=C6S5)C7=CC=CC=C7)NC4=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
31101 | 720 | 39 | 3H-PRAZOSIN | -7 | 35 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
35 | 720 | 39 | 3H-PRAZOSIN | -7 | 35 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
403 | 720 | 39 | 3H-PRAZOSIN | -7 | 35 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
CHEMBL493 | 720 | 39 | 3H-PRAZOSIN | -7 | 35 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
DB01200 | 720 | 39 | 3H-PRAZOSIN | -7 | 35 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
16041629 | 95002 | 0 | UNDEFINED | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | ||
CHEMBL257097 | 95002 | 0 | UNDEFINED | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | ||
None | 214886 | 0 | UNDEFINED | 11 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 359 | 1 | 2 | 3 | 5.3 | CC1=CC=CC=C1N2C3=CC=CC=C3C(CC(C4=CC=CC=C42)(C)O)(C)O | None | ||
100 | 3745 | 52 | 125I-HEAT | -1 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3745 | 52 | 125I-HEAT | -1 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3745 | 52 | 125I-HEAT | -1 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3745 | 52 | 125I-HEAT | -1 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3745 | 52 | 125I-HEAT | -1 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
219050 | 3321 | 21 | 3H-PRAZOSIN | -11 | 21 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
52 | 3321 | 21 | 3H-PRAZOSIN | -11 | 21 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
CHEMBL431367 | 3321 | 21 | 3H-PRAZOSIN | -11 | 21 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
16041264 | 94999 | 0 | UNDEFINED | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | ||
CHEMBL257077 | 94999 | 0 | UNDEFINED | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
135398737 | 944 | 89 | 125I-HEAT | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
135398737 | 944 | 89 | 3H-PRAZOSIN | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 125I-HEAT | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-PRAZOSIN | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 125I-HEAT | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-PRAZOSIN | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 125I-HEAT | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-PRAZOSIN | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 125I-HEAT | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-PRAZOSIN | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
16041092 | 94936 | 0 | UNDEFINED | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | ||
CHEMBL256804 | 94936 | 0 | UNDEFINED | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
135398737 | 944 | 89 | 3H-PRAZOSIN | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-PRAZOSIN | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-PRAZOSIN | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-PRAZOSIN | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-PRAZOSIN | -2 | 91 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
16041629 | 95002 | 0 | UNDEFINED | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | ||
CHEMBL257097 | 95002 | 0 | UNDEFINED | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | ||
2435 | 3533 | 78 | 3H-PRAZOSIN | -3 | 48 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
60149 | 3533 | 78 | 3H-PRAZOSIN | -3 | 48 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
98 | 3533 | 78 | 3H-PRAZOSIN | -3 | 48 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
CHEMBL12713 | 3533 | 78 | 3H-PRAZOSIN | -3 | 48 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
DB06144 | 3533 | 78 | 3H-PRAZOSIN | -3 | 48 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
3584 | 3718 | 60 | 3H-PRAZOSIN | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
5401 | 3718 | 60 | 3H-PRAZOSIN | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
7302 | 3718 | 60 | 3H-PRAZOSIN | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
CHEMBL611 | 3718 | 60 | 3H-PRAZOSIN | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
DB01162 | 3718 | 60 | 3H-PRAZOSIN | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
115 | 340 | 66 | UNDEFINED | -1 | 7 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
2092 | 340 | 66 | UNDEFINED | -1 | 7 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
7109 | 340 | 66 | UNDEFINED | -1 | 7 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
CHEMBL709 | 340 | 66 | UNDEFINED | -1 | 7 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
DB00346 | 340 | 66 | UNDEFINED | -1 | 7 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
209 | 3008 | 94 | 3H-PRAZOSIN | -14 | 23 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
2113 | 3008 | 94 | 3H-PRAZOSIN | -14 | 23 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
4748 | 3008 | 94 | 3H-PRAZOSIN | -14 | 23 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
CHEMBL567 | 3008 | 94 | 3H-PRAZOSIN | -14 | 23 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
DB00850 | 3008 | 94 | 3H-PRAZOSIN | -14 | 23 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
129211 | 3692 | 75 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
2562 | 3692 | 75 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
488 | 3692 | 75 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
521 | 1377 | 64 | None | 2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
5311068 | 1377 | 64 | None | 2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
835 | 1377 | 64 | None | 2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
CHEMBL778 | 1377 | 64 | None | 2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
DB00633 | 1377 | 64 | None | 2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
2803 | 941 | 53 | 3H-PRAZOSIN | -2 | 19 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | 3H-PRAZOSIN | -2 | 19 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | 3H-PRAZOSIN | -2 | 19 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | 3H-PRAZOSIN | -2 | 19 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | 3H-PRAZOSIN | -2 | 19 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
484 | 2814 | 45 | 125I-HEAT | 4 | 35 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
951 | 2814 | 45 | 125I-HEAT | 4 | 35 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL432 | 2814 | 45 | 125I-HEAT | 4 | 35 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
202 | 1480 | 0 | 3H-PRAZOSIN | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
202 | 1480 | 0 | UNDEFINED | -9 | 31 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
60835 | 1480 | 0 | 3H-PRAZOSIN | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
60835 | 1480 | 0 | UNDEFINED | -9 | 31 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
972 | 1480 | 0 | 3H-PRAZOSIN | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
972 | 1480 | 0 | UNDEFINED | -9 | 31 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
CHEMBL1175 | 1480 | 0 | 3H-PRAZOSIN | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
CHEMBL1175 | 1480 | 0 | UNDEFINED | -9 | 31 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
DB00476 | 1480 | 0 | 3H-PRAZOSIN | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
DB00476 | 1480 | 0 | UNDEFINED | -9 | 31 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
43815 | 186337 | 58 | 3H-PRAZOSIN | -199 | 24 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
CHEMBL1708 | 186337 | 58 | 3H-PRAZOSIN | -199 | 24 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
CHEMBL490 | 186337 | 58 | 3H-PRAZOSIN | -199 | 24 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
5656 | 201377 | 82 | 3H-PRAZOSIN | -25 | 40 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
5656 | 201377 | 82 | UNDEFINED | -7 | 40 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
CHEMBL637 | 201377 | 82 | 3H-PRAZOSIN | -25 | 40 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
CHEMBL637 | 201377 | 82 | UNDEFINED | -7 | 40 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
54841 | 201437 | 51 | UNDEFINED | -1 | 28 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
CHEMBL641 | 201437 | 51 | UNDEFINED | -1 | 28 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
3075702 | 215594 | 0 | 3H-PRAZOSIN | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | ||
179 | 396 | 107 | 125I-HEAT | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
2159 | 396 | 107 | 125I-HEAT | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
963 | 396 | 107 | 125I-HEAT | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
CHEMBL243712 | 396 | 107 | 125I-HEAT | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
DB06288 | 396 | 107 | 125I-HEAT | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
1753 | 2468 | 26 | 125I-HEAT | 1 | 5 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
483 | 2468 | 26 | 125I-HEAT | 1 | 5 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
6082 | 2468 | 26 | 125I-HEAT | 1 | 5 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
CHEMBL524 | 2468 | 26 | 125I-HEAT | 1 | 5 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
DB00723 | 2468 | 26 | 125I-HEAT | 1 | 5 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
134 | 2478 | 19 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2478 | 19 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2478 | 19 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2478 | 19 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2478 | 19 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
484 | 2814 | 45 | 125I-BE2254 | -93 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
951 | 2814 | 45 | 125I-BE2254 | -93 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL432 | 2814 | 45 | 125I-BE2254 | -93 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
15897 | 2817 | 0 | 125I-HEAT | -275 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2817 | 0 | 125I-HEAT | -275 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2817 | 0 | 125I-HEAT | -275 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
4508 | 3090 | 91 | 125I-HEAT | -1995 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
4866774 | 3090 | 91 | 125I-HEAT | -1995 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
509 | 3090 | 91 | 125I-HEAT | -1995 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
838 | 3090 | 91 | 125I-HEAT | -1995 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL1740 | 3090 | 91 | 125I-HEAT | -1995 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
119570 | 3110 | 90 | 3H-PRAZOSIN | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
2233 | 3110 | 90 | 3H-PRAZOSIN | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
953 | 3110 | 90 | 3H-PRAZOSIN | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
CHEMBL301265 | 3110 | 90 | 3H-PRAZOSIN | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
DB00413 | 3110 | 90 | 3H-PRAZOSIN | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
2 | 3210 | 19 | 3H-PRAZOSIN | -2089 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
54562 | 3210 | 19 | 3H-PRAZOSIN | -2089 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
CHEMBL240773 | 3210 | 19 | 3H-PRAZOSIN | -2089 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
2402 | 3318 | 58 | 3H-PRAZOSIN | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
5095 | 3318 | 58 | 3H-PRAZOSIN | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
7295 | 3318 | 58 | 3H-PRAZOSIN | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
CHEMBL589 | 3318 | 58 | 3H-PRAZOSIN | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
DB00268 | 3318 | 58 | 3H-PRAZOSIN | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
128563 | 3408 | 28 | 125I-HEAT | -2398 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
1666 | 3408 | 28 | 125I-HEAT | -2398 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
CHEMBL445332 | 3408 | 28 | 125I-HEAT | -2398 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
DB12327 | 3408 | 28 | 125I-HEAT | -2398 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
6917970 | 3635 | 54 | 3H-PRAZOSIN | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
8370 | 3635 | 54 | 3H-PRAZOSIN | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
CHEMBL487387 | 3635 | 54 | 3H-PRAZOSIN | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
2662 | 11279 | 124 | 3H-PRAZOSIN | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
CHEMBL118 | 11279 | 124 | 3H-PRAZOSIN | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
10297 | 26905 | 29 | 125I-HEAT | -38 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
CHEMBL136560 | 26905 | 29 | 125I-HEAT | -38 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
156391 | 46537 | 95 | 3H-PRAZOSIN | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
CHEMBL1200806 | 46537 | 95 | 3H-PRAZOSIN | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
CHEMBL154 | 46537 | 95 | 3H-PRAZOSIN | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
10624 | 69957 | 17 | 125I-HEAT | -102 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
138543650 | 69957 | 17 | 125I-HEAT | -102 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
CHEMBL194378 | 69957 | 17 | 125I-HEAT | -102 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
2244 | 93798 | 96 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
CHEMBL25 | 93798 | 96 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
104870 | 98423 | 39 | 3H-PRAZOSIN | -22 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
5374 | 98423 | 39 | 3H-PRAZOSIN | -22 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
CHEMBL279085 | 98423 | 39 | 3H-PRAZOSIN | -22 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
3663 | 99505 | 79 | 3H-PRAZOSIN | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
CHEMBL286494 | 99505 | 79 | 3H-PRAZOSIN | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
1615 | 167228 | 22 | 125I-HEAT | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL43048 | 167228 | 22 | 125I-HEAT | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
5280343 | 187691 | 119 | 3H-PRAZOSIN | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
CHEMBL1520590 | 187691 | 119 | 3H-PRAZOSIN | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
CHEMBL50 | 187691 | 119 | 3H-PRAZOSIN | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
54676228 | 192874 | 108 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
CHEMBL527 | 192874 | 108 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
2771 | 193347 | 67 | 3H-PRAZOSIN | -9 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
CHEMBL1200781 | 193347 | 67 | 3H-PRAZOSIN | -9 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
CHEMBL549 | 193347 | 67 | 3H-PRAZOSIN | -9 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
4495 | 194860 | 87 | 3H-PRAZOSIN | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
CHEMBL56367 | 194860 | 87 | 3H-PRAZOSIN | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
54677470 | 198867 | 110 | 3H-PRAZOSIN | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
CHEMBL1256873 | 198867 | 110 | 3H-PRAZOSIN | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
CHEMBL599 | 198867 | 110 | 3H-PRAZOSIN | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
162265 | 200587 | 19 | 125I-HEAT | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4786 | 200587 | 19 | 125I-HEAT | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
CHEMBL61006 | 200587 | 19 | 125I-HEAT | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
5281600 | 201336 | 85 | 3H-PRAZOSIN | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
CHEMBL63354 | 201336 | 85 | 3H-PRAZOSIN | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
5656 | 201377 | 82 | 3H-PRAZOSIN | -25 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
CHEMBL637 | 201377 | 82 | 3H-PRAZOSIN | -25 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
202478 | 202981 | 15 | 125I-HEAT | -97 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | ||
CHEMBL7393 | 202981 | 15 | 125I-HEAT | -97 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | ||
5311189 | 203133 | 4 | 125I-HEAT | -194 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | ||
CHEMBL7549 | 203133 | 4 | 125I-HEAT | -194 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | ||
4158 | 203630 | 21 | 125I-HEAT | -141 | 20 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
CHEMBL1722 | 203630 | 21 | 125I-HEAT | -141 | 20 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
CHEMBL796 | 203630 | 21 | 125I-HEAT | -141 | 20 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
4054 | 203790 | 64 | 125I-HEAT | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
CHEMBL1699 | 203790 | 64 | 125I-HEAT | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
CHEMBL807 | 203790 | 64 | 125I-HEAT | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
11954224 | 214174 | 0 | 125I-HEAT | -4073 | 59 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
None | 214217 | 0 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | ||
25137849 | 214425 | 0 | 125I-HEAT | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
71290 | 214425 | 0 | 125I-HEAT | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
3337 | 214441 | 0 | 125I-HEAT | -245 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
65801 | 214441 | 0 | 125I-HEAT | -245 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
66264 | 214441 | 0 | 125I-HEAT | -245 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
91452 | 214441 | 0 | 125I-HEAT | -245 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
127151 | 214487 | 0 | 3H-PRAZOSIN | -1584 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 313 | 6 | 1 | 4 | 3.2 | CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3 | None | ||
None | 214560 | 0 | 125I-HEAT | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | ||
None | 214561 | 0 | 125I-HEAT | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
None | 214562 | 0 | 125I-HEAT | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
None | 214563 | 0 | 125I-HEAT | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
None | 214564 | 0 | 125I-HEAT | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
None | 214565 | 0 | 125I-HEAT | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | ||
None | 214566 | 0 | 125I-HEAT | -1 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | ||
None | 214567 | 0 | 125I-HEAT | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 4 | 3 | 4 | -1.3 | C(CS(=O)(=O)O)C(C(=O)O)N | None | ||
None | 214574 | 0 | 125I-HEAT | -13 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | ||
1576 | 214575 | 0 | 125I-HEAT | -16 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | ||
None | 214576 | 0 | 3H-PRAZOSIN | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 11 | 1 | 4 | 9.0 | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C | None | ||
4978 | 214577 | 0 | 3H-PRAZOSIN | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 520 | 1 | 7 | 9 | 4.3 | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4CO)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O | None | ||
None | 214578 | 0 | 3H-PRAZOSIN | -3 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | ||
None | 214579 | 0 | 3H-PRAZOSIN | -281 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | ||
None | 214580 | 0 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 7 | 11 | 0.4 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O | None | ||
None | 214591 | 0 | 3H-PRAZOSIN | -1862 | 19 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCCC2C1CC3=CN=C(N=C3C2)N | None | ||
135269 | 214639 | 0 | 3H-PRAZOSIN | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | ||
23681059 | 214640 | 0 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | None | ||
5018304 | 214641 | 0 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 317 | 4 | 1 | 3 | 0.0 | C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] | None | ||
3672 | 214642 | 0 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O | None | ||
84003 | 214643 | 0 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 376 | 6 | 5 | 7 | -0.0 | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O | None | ||
123619 | 214644 | 0 | 3H-PRAZOSIN | -1412 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | ||
119828 | 214645 | 0 | 3H-PRAZOSIN | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 5 | 1 | 5 | 3.5 | CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C | None | ||
5090 | 214646 | 0 | 3H-PRAZOSIN | -1348 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | None | ||
119607 | 214647 | 0 | 3H-PRAZOSIN | -97 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N | None | ||
None | 214648 | 0 | 3H-PRAZOSIN | -7 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 517 | 8 | 2 | 5 | 5.2 | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C | None | ||
None | 214747 | 0 | 3H-PRAZOSIN | -4570 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 347 | 6 | 0 | 3 | 5.0 | CC(=O)N(CC1=CC=CC=C1OC)C2=CC=CC=C2OC3=CC=CC=C3 | None | ||
16041451 | 97359 | 0 | UNDEFINED | -1 | 4 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
CHEMBL271913 | 97359 | 0 | UNDEFINED | -1 | 4 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
135409468 | 2004 | 63 | 3H-PRAZOSIN | -37 | 40 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
333 | 2004 | 63 | 3H-PRAZOSIN | -37 | 40 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
CHEMBL845 | 2004 | 63 | 3H-PRAZOSIN | -37 | 40 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
2105 | 3005 | 34 | 3H-PRAZOSIN | -316 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
47811 | 3005 | 34 | 3H-PRAZOSIN | -316 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
48 | 3005 | 34 | 3H-PRAZOSIN | -316 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
CHEMBL531 | 3005 | 34 | 3H-PRAZOSIN | -316 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
DB01186 | 3005 | 34 | 3H-PRAZOSIN | -316 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
135398745 | 2869 | 108 | 125I-HEAT | -24 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2869 | 108 | 125I-HEAT | -24 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2869 | 108 | 125I-HEAT | -24 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2869 | 108 | 125I-HEAT | -24 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
16041091 | 94777 | 0 | UNDEFINED | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | ||
CHEMBL256041 | 94777 | 0 | UNDEFINED | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | ||
16041263 | 95003 | 0 | UNDEFINED | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | ||
CHEMBL257098 | 95003 | 0 | UNDEFINED | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | ||
11954259 | 214201 | 0 | 3H-PRAZOSIN | -38 | 43 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
16041090 | 94949 | 0 | UNDEFINED | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | ||
CHEMBL256853 | 94949 | 0 | UNDEFINED | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | ||
2142 | 3047 | 54 | 125I-HEAT | -12 | 36 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3047 | 54 | 125I-HEAT | -12 | 36 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3047 | 54 | 125I-HEAT | -12 | 36 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3047 | 54 | 125I-HEAT | -12 | 36 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3047 | 54 | 125I-HEAT | -12 | 36 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3047 | 54 | 125I-HEAT | -12 | 36 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
135398745 | 2869 | 108 | 3H-PRAZOSIN | -24 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2869 | 108 | 3H-PRAZOSIN | -24 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2869 | 108 | 3H-PRAZOSIN | -24 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2869 | 108 | 3H-PRAZOSIN | -24 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
185 | 3943 | 54 | 3H-PRAZOSIN | -1230 | 37 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
5311271 | 3943 | 54 | 3H-PRAZOSIN | -1230 | 37 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
CHEMBL74355 | 3943 | 54 | 3H-PRAZOSIN | -1230 | 37 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
DB16351 | 3943 | 54 | 3H-PRAZOSIN | -1230 | 37 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
1353 | 1880 | 85 | 125I-HEAT | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
1353 | 1880 | 85 | 3H-PRAZOSIN | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1880 | 85 | 125I-HEAT | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1880 | 85 | 3H-PRAZOSIN | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1880 | 85 | 125I-HEAT | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1880 | 85 | 3H-PRAZOSIN | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1880 | 85 | 125I-HEAT | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1880 | 85 | 3H-PRAZOSIN | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1880 | 85 | 125I-HEAT | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1880 | 85 | 3H-PRAZOSIN | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
11954259 | 214201 | 0 | 125I-HEAT | -38 | 43 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
2803 | 941 | 53 | 3H-PRAZOSIN | -6 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | 3H-PRAZOSIN | -6 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | 3H-PRAZOSIN | -6 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | 3H-PRAZOSIN | -6 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | 3H-PRAZOSIN | -6 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
41 | 1629 | 0 | 3H-PRAZOSIN | -199 | 16 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
72036 | 1629 | 0 | 3H-PRAZOSIN | -199 | 16 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
CHEMBL1765294 | 1629 | 0 | 3H-PRAZOSIN | -199 | 16 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
104870 | 98423 | 39 | 3H-PRAZOSIN | -22 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
5374 | 98423 | 39 | 3H-PRAZOSIN | -22 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
CHEMBL279085 | 98423 | 39 | 3H-PRAZOSIN | -22 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
185 | 3943 | 54 | 125I-HEAT | -1230 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
5311271 | 3943 | 54 | 125I-HEAT | -1230 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
CHEMBL74355 | 3943 | 54 | 125I-HEAT | -1230 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
DB16351 | 3943 | 54 | 125I-HEAT | -1230 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
7153 | 97570 | 74 | 3H-PRAZOSIN | -72 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
CHEMBL272942 | 97570 | 74 | 3H-PRAZOSIN | -72 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
16041628 | 154811 | 0 | UNDEFINED | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | ||
CHEMBL403280 | 154811 | 0 | UNDEFINED | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
6102 | 214271 | 0 | 125I-HEAT | 6 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 167 | 3 | 3 | 3 | 0.6 | CNCC(C1=CC(=CC=C1)O)O | None | ||
16041091 | 94777 | 0 | UNDEFINED | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | ||
CHEMBL256041 | 94777 | 0 | UNDEFINED | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
213 | 3792 | 50 | 125I-HEAT | -2 | 43 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2717 | 3792 | 50 | 125I-HEAT | -2 | 43 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5533 | 3792 | 50 | 125I-HEAT | -2 | 43 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
CHEMBL621 | 3792 | 50 | 125I-HEAT | -2 | 43 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
DB00656 | 3792 | 50 | 125I-HEAT | -2 | 43 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
16040907 | 97434 | 0 | UNDEFINED | 2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
CHEMBL272340 | 97434 | 0 | UNDEFINED | 2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
102 | 4064 | 44 | 3H-PRAZOSIN | -363 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4064 | 44 | 3H-PRAZOSIN | -363 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4064 | 44 | 3H-PRAZOSIN | -363 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4064 | 44 | 3H-PRAZOSIN | -363 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4064 | 44 | 3H-PRAZOSIN | -363 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
16041265 | 94893 | 0 | UNDEFINED | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | ||
CHEMBL256597 | 94893 | 0 | UNDEFINED | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
444 | 214245 | 0 | 3H-PRAZOSIN | -3311 | 17 | Human | 4.8 | pKi | = | 4.8 | Binding | PDSP KiDatabase | 239 | 3 | 1 | 2 | 3.3 | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C | None | ||
None | 214590 | 0 | 3H-PRAZOSIN | -288 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 451 | 8 | 2 | 4 | 3.2 | CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
2865 | 4079 | 67 | 125I-HEAT | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
2865 | 4079 | 67 | 3H-PRAZOSIN | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4079 | 67 | 125I-HEAT | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4079 | 67 | 3H-PRAZOSIN | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4079 | 67 | 125I-HEAT | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4079 | 67 | 3H-PRAZOSIN | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4079 | 67 | 125I-HEAT | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4079 | 67 | 3H-PRAZOSIN | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4079 | 67 | 125I-HEAT | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4079 | 67 | 3H-PRAZOSIN | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
104911 | 214249 | 0 | 3H-PRAZOSIN | -50 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
186 | 1777 | 47 | 125I-HEAT | -245 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
71781 | 1777 | 47 | 125I-HEAT | -245 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
CHEMBL18972 | 1777 | 47 | 125I-HEAT | -245 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
135398737 | 944 | 89 | UNDEFINED | -2 | 91 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | UNDEFINED | -2 | 91 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | UNDEFINED | -2 | 91 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | UNDEFINED | -2 | 91 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | UNDEFINED | -2 | 91 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
104911 | 214249 | 0 | 3H-PRAZOSIN | -50 | 36 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
16362 | 3076 | 67 | 3H-PRAZOSIN | -1047 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
2172 | 3076 | 67 | 3H-PRAZOSIN | -1047 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
90 | 3076 | 67 | 3H-PRAZOSIN | -1047 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
CHEMBL1423 | 3076 | 67 | 3H-PRAZOSIN | -1047 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
DB01100 | 3076 | 67 | 3H-PRAZOSIN | -1047 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
183782 | 3346 | 15 | 3H-PRAZOSIN | -47 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
237 | 3346 | 15 | 3H-PRAZOSIN | -47 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
CHEMBL85251 | 3346 | 15 | 3H-PRAZOSIN | -47 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
102 | 4064 | 44 | 3H-PRAZOSIN | -363 | 49 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4064 | 44 | 3H-PRAZOSIN | -363 | 49 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4064 | 44 | 3H-PRAZOSIN | -363 | 49 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4064 | 44 | 3H-PRAZOSIN | -363 | 49 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4064 | 44 | 3H-PRAZOSIN | -363 | 49 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
68602 | 203416 | 72 | 3H-PRAZOSIN | -37 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
CHEMBL77921 | 203416 | 72 | 3H-PRAZOSIN | -37 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
25058166 | 214181 | 0 | 3H-PRAZOSIN | -177 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
6852389 | 214181 | 0 | 3H-PRAZOSIN | -177 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214179 | 0 | 125I-HEAT | -13 | 19 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
115237 | 55296 | 113 | 3H-PRAZOSIN | -1 | 54 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
CHEMBL1621 | 55296 | 113 | 3H-PRAZOSIN | -1 | 54 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
219050 | 3321 | 21 | 3H-PRAZOSIN | -11 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
52 | 3321 | 21 | 3H-PRAZOSIN | -11 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
CHEMBL431367 | 3321 | 21 | 3H-PRAZOSIN | -11 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
16041265 | 94893 | 0 | UNDEFINED | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | ||
CHEMBL256597 | 94893 | 0 | UNDEFINED | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
16041451 | 97359 | 0 | UNDEFINED | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
CHEMBL271913 | 97359 | 0 | UNDEFINED | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
16041628 | 154811 | 0 | UNDEFINED | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | ||
CHEMBL403280 | 154811 | 0 | UNDEFINED | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
1588 | 2294 | 24 | 3H-PRAZOSIN | -30 | 43 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
28864 | 2294 | 24 | 3H-PRAZOSIN | -30 | 43 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
43 | 2294 | 24 | 3H-PRAZOSIN | -30 | 43 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL157138 | 2294 | 24 | 3H-PRAZOSIN | -30 | 43 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB00589 | 2294 | 24 | 3H-PRAZOSIN | -30 | 43 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
16041090 | 94949 | 0 | UNDEFINED | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | ||
CHEMBL256853 | 94949 | 0 | UNDEFINED | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
2470 | 3596 | 46 | 3H-PRAZOSIN | -309 | 59 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3596 | 46 | 3H-PRAZOSIN | -309 | 59 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3596 | 46 | 3H-PRAZOSIN | -309 | 59 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3596 | 46 | 3H-PRAZOSIN | -309 | 59 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3596 | 46 | 3H-PRAZOSIN | -309 | 59 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
1209 | 1628 | 69 | 3H-PRAZOSIN | -371 | 31 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
203 | 1628 | 69 | 3H-PRAZOSIN | -371 | 31 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
3386 | 1628 | 69 | 3H-PRAZOSIN | -371 | 31 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
CHEMBL41 | 1628 | 69 | 3H-PRAZOSIN | -371 | 31 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
DB00472 | 1628 | 69 | 3H-PRAZOSIN | -371 | 31 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
446220 | 132998 | 13 | 125I-HEAT | -371 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
CHEMBL370805 | 132998 | 13 | 125I-HEAT | -371 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
124 | 2933 | 44 | 125I-HEAT | -338 | 32 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | 125I-HEAT | -338 | 32 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | 125I-HEAT | -338 | 32 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | 125I-HEAT | -338 | 32 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | 125I-HEAT | -338 | 32 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2202 | 3083 | 91 | 3H-PRAZOSIN | -3 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
4850 | 3083 | 91 | 3H-PRAZOSIN | -3 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
49 | 3083 | 91 | 3H-PRAZOSIN | -3 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL1371770 | 3083 | 91 | 3H-PRAZOSIN | -3 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
DB12478 | 3083 | 91 | 3H-PRAZOSIN | -3 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
2337 | 3205 | 72 | 125I-HEAT | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
2337 | 3205 | 72 | 3H-PRAZOSIN | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3205 | 72 | 125I-HEAT | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3205 | 72 | 3H-PRAZOSIN | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3205 | 72 | 125I-HEAT | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3205 | 72 | 3H-PRAZOSIN | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3205 | 72 | 125I-HEAT | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3205 | 72 | 3H-PRAZOSIN | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3205 | 72 | 125I-HEAT | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3205 | 72 | 3H-PRAZOSIN | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
16041264 | 94999 | 0 | UNDEFINED | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | ||
CHEMBL257077 | 94999 | 0 | UNDEFINED | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
2995 | 202700 | 49 | 3H-PRAZOSIN | -3 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL1696 | 202700 | 49 | 3H-PRAZOSIN | -3 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL72 | 202700 | 49 | 3H-PRAZOSIN | -3 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
214 | 3799 | 52 | 3H-PRAZOSIN | -28 | 29 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
2740 | 3799 | 52 | 3H-PRAZOSIN | -28 | 29 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
5566 | 3799 | 52 | 3H-PRAZOSIN | -28 | 29 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
66064 | 3799 | 52 | 3H-PRAZOSIN | -28 | 29 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL422 | 3799 | 52 | 3H-PRAZOSIN | -28 | 29 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00831 | 3799 | 52 | 3H-PRAZOSIN | -28 | 29 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
242 | 467 | 117 | 125I-HEAT | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 467 | 117 | 125I-HEAT | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 467 | 117 | 125I-HEAT | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 467 | 117 | 125I-HEAT | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 467 | 117 | 125I-HEAT | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
16041449 | 94776 | 0 | UNDEFINED | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | ||
CHEMBL256040 | 94776 | 0 | UNDEFINED | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
242 | 467 | 117 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 467 | 117 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 467 | 117 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 467 | 117 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 467 | 117 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
138107169 | 214173 | 0 | 125I-HEAT | -676 | 22 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
22831402 | 214173 | 0 | 125I-HEAT | -676 | 22 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
242 | 467 | 117 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 467 | 117 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 467 | 117 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 467 | 117 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 467 | 117 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
16041629 | 95002 | 0 | UNDEFINED | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | ||
CHEMBL257097 | 95002 | 0 | UNDEFINED | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
16041628 | 154811 | 0 | UNDEFINED | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | ||
CHEMBL403280 | 154811 | 0 | UNDEFINED | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | ||
1830 | 2552 | 39 | 3H-PRAZOSIN | -467 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
207 | 2552 | 39 | 3H-PRAZOSIN | -467 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
23897 | 2552 | 39 | 3H-PRAZOSIN | -467 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
CHEMBL460 | 2552 | 39 | 3H-PRAZOSIN | -467 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
DB01618 | 2552 | 39 | 3H-PRAZOSIN | -467 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
3337 | 214441 | 0 | 125I-HEAT | -245 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
65801 | 214441 | 0 | 125I-HEAT | -245 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
66264 | 214441 | 0 | 125I-HEAT | -245 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
91452 | 214441 | 0 | 125I-HEAT | -245 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
68617 | 203816 | 60 | 3H-PRAZOSIN | -40 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
CHEMBL1709 | 203816 | 60 | 3H-PRAZOSIN | -40 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
CHEMBL809 | 203816 | 60 | 3H-PRAZOSIN | -40 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
None | 214590 | 0 | 3H-PRAZOSIN | -288 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 451 | 8 | 2 | 4 | 3.2 | CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C | None | ||
1353 | 1880 | 85 | 3H-PRAZOSIN | -19 | 85 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1880 | 85 | 3H-PRAZOSIN | -19 | 85 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1880 | 85 | 3H-PRAZOSIN | -19 | 85 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1880 | 85 | 3H-PRAZOSIN | -19 | 85 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1880 | 85 | 3H-PRAZOSIN | -19 | 85 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
16041264 | 94999 | 0 | UNDEFINED | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | ||
CHEMBL257077 | 94999 | 0 | UNDEFINED | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | ||
2105 | 3005 | 34 | 3H-PRAZOSIN | -316 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
47811 | 3005 | 34 | 3H-PRAZOSIN | -316 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
48 | 3005 | 34 | 3H-PRAZOSIN | -316 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
CHEMBL531 | 3005 | 34 | 3H-PRAZOSIN | -316 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
DB01186 | 3005 | 34 | 3H-PRAZOSIN | -316 | 33 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
16041263 | 95003 | 0 | UNDEFINED | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | ||
CHEMBL257098 | 95003 | 0 | UNDEFINED | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
16041628 | 154811 | 0 | UNDEFINED | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | ||
CHEMBL403280 | 154811 | 0 | UNDEFINED | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | ||
3157 | 1442 | 69 | UNDEFINED | -1 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
7170 | 1442 | 69 | UNDEFINED | -1 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
954 | 1442 | 69 | UNDEFINED | -1 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
CHEMBL707 | 1442 | 69 | UNDEFINED | -1 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
DB00590 | 1442 | 69 | UNDEFINED | -1 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
2801 | 161325 | 56 | 3H-PRAZOSIN | -1 | 28 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
CHEMBL1200710 | 161325 | 56 | 3H-PRAZOSIN | -1 | 28 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
CHEMBL415 | 161325 | 56 | 3H-PRAZOSIN | -1 | 28 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
2601 | 3721 | 30 | 3H-PRAZOSIN | -5 | 21 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
443951 | 3721 | 30 | 3H-PRAZOSIN | -5 | 21 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
56 | 3721 | 30 | 3H-PRAZOSIN | -5 | 21 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL73151 | 3721 | 30 | 3H-PRAZOSIN | -5 | 21 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB13399 | 3721 | 30 | 3H-PRAZOSIN | -5 | 21 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
16041092 | 94936 | 0 | UNDEFINED | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | ||
CHEMBL256804 | 94936 | 0 | UNDEFINED | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | ||
None | 214886 | 0 | UNDEFINED | 11 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 359 | 1 | 2 | 3 | 5.3 | CC1=CC=CC=C1N2C3=CC=CC=C3C(CC(C4=CC=CC=C42)(C)O)(C)O | None | ||
16041449 | 94776 | 0 | UNDEFINED | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | ||
CHEMBL256040 | 94776 | 0 | UNDEFINED | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
2601 | 3721 | 30 | 3H-PRAZOSIN | -5 | 21 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
443951 | 3721 | 30 | 3H-PRAZOSIN | -5 | 21 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
56 | 3721 | 30 | 3H-PRAZOSIN | -5 | 21 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL73151 | 3721 | 30 | 3H-PRAZOSIN | -5 | 21 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB13399 | 3721 | 30 | 3H-PRAZOSIN | -5 | 21 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
1613 | 2316 | 44 | 125I-HEAT | -7 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
1613 | 2316 | 44 | 3H-PRAZOSIN | -7 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
205 | 2316 | 44 | 125I-HEAT | -7 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
205 | 2316 | 44 | 3H-PRAZOSIN | -7 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
3964 | 2316 | 44 | 125I-HEAT | -7 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
3964 | 2316 | 44 | 3H-PRAZOSIN | -7 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
CHEMBL831 | 2316 | 44 | 125I-HEAT | -7 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
CHEMBL831 | 2316 | 44 | 3H-PRAZOSIN | -7 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
DB00408 | 2316 | 44 | 125I-HEAT | -7 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
DB00408 | 2316 | 44 | 3H-PRAZOSIN | -7 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
2803 | 941 | 53 | 3H-PRAZOSIN | -6 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | 3H-PRAZOSIN | -6 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | 3H-PRAZOSIN | -6 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | 3H-PRAZOSIN | -6 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | 3H-PRAZOSIN | -6 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
102 | 4064 | 44 | 125I-BE2254 | -363 | 49 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4064 | 44 | 125I-BE2254 | -363 | 49 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4064 | 44 | 125I-BE2254 | -363 | 49 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4064 | 44 | 125I-BE2254 | -363 | 49 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4064 | 44 | 125I-BE2254 | -363 | 49 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
1427 | 1982 | 50 | 3H-PRAZOSIN | -3 | 26 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
357 | 1982 | 50 | 3H-PRAZOSIN | -3 | 26 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
3696 | 1982 | 50 | 3H-PRAZOSIN | -3 | 26 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
CHEMBL11 | 1982 | 50 | 3H-PRAZOSIN | -3 | 26 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
DB00458 | 1982 | 50 | 3H-PRAZOSIN | -3 | 26 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214486 | 0 | 125I-HEAT | -13489 | 29 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
16041265 | 94893 | 0 | UNDEFINED | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | ||
CHEMBL256597 | 94893 | 0 | UNDEFINED | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | ||
16041451 | 97359 | 0 | UNDEFINED | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
CHEMBL271913 | 97359 | 0 | UNDEFINED | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
1816 | 2504 | 99 | 3H-PRAZOSIN | -794 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
4205 | 2504 | 99 | 3H-PRAZOSIN | -794 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
7241 | 2504 | 99 | 3H-PRAZOSIN | -794 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
CHEMBL654 | 2504 | 99 | 3H-PRAZOSIN | -794 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
DB00370 | 2504 | 99 | 3H-PRAZOSIN | -794 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
16040907 | 97434 | 0 | UNDEFINED | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
CHEMBL272340 | 97434 | 0 | UNDEFINED | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
2771 | 193347 | 67 | 3H-PRAZOSIN | -9 | 26 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
CHEMBL1200781 | 193347 | 67 | 3H-PRAZOSIN | -9 | 26 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
CHEMBL549 | 193347 | 67 | 3H-PRAZOSIN | -9 | 26 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
None | 214256 | 0 | 3H-PRAZOSIN | -251 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 453 | 9 | 2 | 6 | 2.6 | COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CCNS(=O)(=O)C)Cl)N.Cl | None | ||
180 | 397 | 50 | 3H-PRAZOSIN | -23 | 38 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
200 | 397 | 50 | 3H-PRAZOSIN | -23 | 38 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
2160 | 397 | 50 | 3H-PRAZOSIN | -23 | 38 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
CHEMBL629 | 397 | 50 | 3H-PRAZOSIN | -23 | 38 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
DB00321 | 397 | 50 | 3H-PRAZOSIN | -23 | 38 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
31101 | 720 | 39 | 3H-PRAZOSIN | -7 | 35 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
35 | 720 | 39 | 3H-PRAZOSIN | -7 | 35 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
403 | 720 | 39 | 3H-PRAZOSIN | -7 | 35 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
CHEMBL493 | 720 | 39 | 3H-PRAZOSIN | -7 | 35 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
DB01200 | 720 | 39 | 3H-PRAZOSIN | -7 | 35 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
46780481 | 107045 | 18 | 3H-PRAZOSIN | -25 | 53 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
9903970 | 107045 | 18 | 3H-PRAZOSIN | -25 | 53 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3187365 | 107045 | 18 | 3H-PRAZOSIN | -25 | 53 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3544974 | 107045 | 18 | 3H-PRAZOSIN | -25 | 53 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
1753 | 2468 | 26 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
483 | 2468 | 26 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
6082 | 2468 | 26 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
CHEMBL524 | 2468 | 26 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
DB00723 | 2468 | 26 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
104911 | 214249 | 0 | 3H-PRAZOSIN | -50 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
1210 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
1213 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
2725 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
33036 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
4411 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
616 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
6976 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
716121 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
90475904 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1201353 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1554789 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL505 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB01114 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB13679 | 905 | 45 | None | -380 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
None | 214489 | 0 | 125I-BE2254 | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 609 | 10 | 1 | 8 | 6.0 | CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC | None | ||
16041630 | 97098 | 0 | UNDEFINED | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | ||
CHEMBL270589 | 97098 | 0 | UNDEFINED | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
3823 | 49951 | 38 | None | 1 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
76973198 | 49951 | 38 | None | 1 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
CHEMBL157101 | 49951 | 38 | None | 1 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
16041263 | 95003 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | ||
CHEMBL257098 | 95003 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
1890 | 2718 | 44 | 3H-PRAZOSIN | -7 | 15 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
4449 | 2718 | 44 | 3H-PRAZOSIN | -7 | 15 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
7247 | 2718 | 44 | 3H-PRAZOSIN | -7 | 15 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
CHEMBL623 | 2718 | 44 | 3H-PRAZOSIN | -7 | 15 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
DB01149 | 2718 | 44 | 3H-PRAZOSIN | -7 | 15 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
16041263 | 95003 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | ||
CHEMBL257098 | 95003 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
2389 | 3279 | 114 | 125I-HEAT | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
2389 | 3279 | 114 | 3H-PRAZOSIN | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3279 | 114 | 125I-HEAT | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3279 | 114 | 3H-PRAZOSIN | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3279 | 114 | 125I-HEAT | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3279 | 114 | 3H-PRAZOSIN | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3279 | 114 | 125I-HEAT | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3279 | 114 | 3H-PRAZOSIN | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3279 | 114 | 125I-HEAT | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3279 | 114 | 3H-PRAZOSIN | -23 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
100 | 3745 | 52 | 3H-PRAZOSIN | -1 | 55 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3745 | 52 | 3H-PRAZOSIN | -1 | 55 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3745 | 52 | 3H-PRAZOSIN | -1 | 55 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3745 | 52 | 3H-PRAZOSIN | -1 | 55 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3745 | 52 | 3H-PRAZOSIN | -1 | 55 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
162265 | 200587 | 19 | None | -5 | 44 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4786 | 200587 | 19 | None | -5 | 44 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
CHEMBL61006 | 200587 | 19 | None | -5 | 44 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
16041264 | 94999 | 0 | UNDEFINED | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | ||
CHEMBL257077 | 94999 | 0 | UNDEFINED | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
2812 | 4711 | 96 | None | -40 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
CHEMBL104 | 4711 | 96 | None | -40 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
2162 | 41273 | 97 | None | -4 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | ||
CHEMBL1491 | 41273 | 97 | None | -4 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | ||
441383 | 20133 | 54 | None | -9 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
CHEMBL1306 | 20133 | 54 | None | -9 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
448537 | 159703 | 86 | None | -33 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
CHEMBL411 | 159703 | 86 | None | -33 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
16041630 | 97098 | 0 | UNDEFINED | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | ||
CHEMBL270589 | 97098 | 0 | UNDEFINED | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | ||
3198 | 203802 | 73 | None | -30 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL1201049 | 203802 | 73 | None | -30 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL808 | 203802 | 73 | None | -30 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
1588 | 2294 | 24 | 3H-PRAZOSIN | -30 | 43 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
28864 | 2294 | 24 | 3H-PRAZOSIN | -30 | 43 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
43 | 2294 | 24 | 3H-PRAZOSIN | -30 | 43 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL157138 | 2294 | 24 | 3H-PRAZOSIN | -30 | 43 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB00589 | 2294 | 24 | 3H-PRAZOSIN | -30 | 43 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
10219 | 188210 | 30 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | ||
CHEMBL493439 | 188210 | 30 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | ||
CHEMBL50588 | 188210 | 30 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | ||
1599 | 2309 | 47 | None | -6 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
3955 | 2309 | 47 | None | -6 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
7215 | 2309 | 47 | None | -6 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
CHEMBL841 | 2309 | 47 | None | -6 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
DB00836 | 2309 | 47 | None | -6 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
2291 | 3135 | 52 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
2561 | 3135 | 52 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
4932 | 3135 | 52 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
CHEMBL631 | 3135 | 52 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
DB01182 | 3135 | 52 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
164739 | 1143 | 38 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | ||
4482 | 1143 | 38 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | ||
508 | 1143 | 38 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | ||
CHEMBL677 | 1143 | 38 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | ||
DB06707 | 1143 | 38 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
1016 | 3690 | 75 | None | -22 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
2561 | 3690 | 75 | None | -22 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
2733526 | 3690 | 75 | None | -22 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
5384 | 3690 | 75 | None | -22 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
CHEMBL83 | 3690 | 75 | None | -22 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
DB00675 | 3690 | 75 | None | -22 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
3652 | 45983 | 62 | None | 1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
CHEMBL1535 | 45983 | 62 | None | 1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
1530 | 2151 | 44 | None | -104 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
3827 | 2151 | 44 | None | -104 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
7206 | 2151 | 44 | None | -104 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
CHEMBL534 | 2151 | 44 | None | -104 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
DB00920 | 2151 | 44 | None | -104 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
4189 | 205195 | 91 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
CHEMBL1559 | 205195 | 91 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
CHEMBL91 | 205195 | 91 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
57469 | 18678 | 120 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | None | ||
CHEMBL1282 | 18678 | 120 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | None | ||
104870 | 98423 | 39 | None | -22 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
5374 | 98423 | 39 | None | -22 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
CHEMBL279085 | 98423 | 39 | None | -22 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
1935 | 3677 | 92 | None | 6 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
2551 | 3677 | 92 | None | 6 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
6687 | 3677 | 92 | None | 6 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
CHEMBL95 | 3677 | 92 | None | 6 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
DB00382 | 3677 | 92 | None | 6 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
237 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
CHEMBL546257 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
CHEMBL554190 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
CHEMBL7568 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
41 | 1629 | 0 | 3H-PRAZOSIN | -199 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
72036 | 1629 | 0 | 3H-PRAZOSIN | -199 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
CHEMBL1765294 | 1629 | 0 | 3H-PRAZOSIN | -199 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
16041449 | 94776 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | ||
CHEMBL256040 | 94776 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | ||
16041092 | 94936 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | ||
CHEMBL256804 | 94936 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | ||
None | 214489 | 0 | 125I-BE2254 | 2 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 609 | 10 | 1 | 8 | 6.0 | CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC | None | ||
16041629 | 95002 | 0 | UNDEFINED | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | ||
CHEMBL257097 | 95002 | 0 | UNDEFINED | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | ||
16041630 | 97098 | 0 | UNDEFINED | -2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | ||
CHEMBL270589 | 97098 | 0 | UNDEFINED | -2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
1028 | 287 | 69 | 125I-HEAT | -22 | 29 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
139148732 | 287 | 69 | 125I-HEAT | -22 | 29 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
479 | 287 | 69 | 125I-HEAT | -22 | 29 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
5816 | 287 | 69 | 125I-HEAT | -22 | 29 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
CHEMBL679 | 287 | 69 | 125I-HEAT | -22 | 29 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
DB00668 | 287 | 69 | 125I-HEAT | -22 | 29 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
4508 | 3090 | 91 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
4866774 | 3090 | 91 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
509 | 3090 | 91 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
838 | 3090 | 91 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL1740 | 3090 | 91 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
11057 | 175575 | 19 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
3468 | 175575 | 19 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
CHEMBL459265 | 175575 | 19 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
CHEMBL64894 | 175575 | 19 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
3191 | 102385 | 93 | None | -14 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
CHEMBL305660 | 102385 | 93 | None | -14 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
2435 | 714 | 98 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
395 | 714 | 98 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
520 | 714 | 98 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
5386 | 714 | 98 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
CHEMBL844 | 714 | 98 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
DB00484 | 714 | 98 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
2520 | 202310 | 65 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
CHEMBL1280 | 202310 | 65 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
CHEMBL6966 | 202310 | 65 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
2105 | 3005 | 34 | None | -316 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
47811 | 3005 | 34 | None | -316 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
48 | 3005 | 34 | None | -316 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
CHEMBL531 | 3005 | 34 | None | -316 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
DB01186 | 3005 | 34 | None | -316 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
2771 | 193347 | 67 | None | -9 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
CHEMBL1200781 | 193347 | 67 | None | -9 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
CHEMBL549 | 193347 | 67 | None | -9 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
12057539 | 206301 | 39 | None | -11 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
3661 | 206301 | 39 | None | -11 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
CHEMBL9751 | 206301 | 39 | None | -11 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
16041265 | 94893 | 0 | UNDEFINED | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | ||
CHEMBL256597 | 94893 | 0 | UNDEFINED | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
1443 | 1997 | 30 | None | -27 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
33625 | 1997 | 30 | None | -27 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
501 | 1997 | 30 | None | -27 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
CHEMBL279516 | 1997 | 30 | None | -27 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
DB08950 | 1997 | 30 | None | -27 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
2803 | 941 | 53 | None | -6 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | None | -6 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | None | -6 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | None | -6 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | None | -6 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
6726 | 1254 | 46 | None | -11 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
7151 | 1254 | 46 | None | -11 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
749 | 1254 | 46 | None | -11 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
CHEMBL648 | 1254 | 46 | None | -11 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
DB01176 | 1254 | 46 | None | -11 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
33630 | 178379 | 94 | None | -10 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | ||
CHEMBL47050 | 178379 | 94 | None | -10 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | ||
1547484 | 927 | 70 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
654 | 927 | 70 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
9072 | 927 | 70 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
CHEMBL43064 | 927 | 70 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
DB00568 | 927 | 70 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
1343 | 1858 | 55 | None | 3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
3519 | 1858 | 55 | None | 3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
522 | 1858 | 55 | None | 3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
CHEMBL862 | 1858 | 55 | None | 3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
DB01018 | 1858 | 55 | None | 3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
2477 | 734 | 54 | None | -8 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
36 | 734 | 54 | None | -8 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
437 | 734 | 54 | None | -8 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
CHEMBL49 | 734 | 54 | None | -8 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
DB00490 | 734 | 54 | None | -8 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
1028 | 287 | 69 | None | -22 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
139148732 | 287 | 69 | None | -22 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
479 | 287 | 69 | None | -22 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
5816 | 287 | 69 | None | -22 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
CHEMBL679 | 287 | 69 | None | -22 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
DB00668 | 287 | 69 | None | -22 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
3584 | 3718 | 60 | UNDEFINED | -1 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
5401 | 3718 | 60 | UNDEFINED | -1 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
7302 | 3718 | 60 | UNDEFINED | -1 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
CHEMBL611 | 3718 | 60 | UNDEFINED | -1 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
DB01162 | 3718 | 60 | UNDEFINED | -1 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
4735 | 193445 | 92 | None | 6 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
CHEMBL361506 | 193445 | 92 | None | 6 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
CHEMBL55 | 193445 | 92 | None | 6 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
2351 | 3234 | 60 | None | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
2820 | 3234 | 60 | None | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
5035 | 3234 | 60 | None | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
CHEMBL81 | 3234 | 60 | None | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
DB00481 | 3234 | 60 | None | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
12488 | 1627 | 51 | None | -10 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
941361 | 1627 | 51 | None | -10 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
CHEMBL30008 | 1627 | 51 | None | -10 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
DB04841 | 1627 | 51 | None | -10 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
124 | 2933 | 44 | None | -380 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | None | -380 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | None | -380 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | None | -380 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | None | -380 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
1212 | 1632 | 45 | 125I-HEAT | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1632 | 45 | 125I-HEAT | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1632 | 45 | 125I-HEAT | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1632 | 45 | 125I-HEAT | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1632 | 45 | 125I-HEAT | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
124 | 2933 | 44 | None | -338 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
2032 | 2933 | 44 | None | -338 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
4636 | 2933 | 44 | None | -338 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
CHEMBL762 | 2933 | 44 | None | -338 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
DB00935 | 2933 | 44 | None | -338 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
1212 | 1632 | 45 | 3H-PRAZOSIN | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1632 | 45 | 3H-PRAZOSIN | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1632 | 45 | 3H-PRAZOSIN | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1632 | 45 | 3H-PRAZOSIN | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1632 | 45 | 3H-PRAZOSIN | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
16041449 | 94776 | 0 | UNDEFINED | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | ||
CHEMBL256040 | 94776 | 0 | UNDEFINED | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | ||
1028 | 287 | 69 | None | -8 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
139148732 | 287 | 69 | None | -8 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
479 | 287 | 69 | None | -8 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
5816 | 287 | 69 | None | -8 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
CHEMBL679 | 287 | 69 | None | -8 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
DB00668 | 287 | 69 | None | -8 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
2202 | 3083 | 91 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
4850 | 3083 | 91 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
49 | 3083 | 91 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL1371770 | 3083 | 91 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
DB12478 | 3083 | 91 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
11154555 | 788 | 57 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
5037 | 788 | 57 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
7671 | 788 | 57 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL2028019 | 788 | 57 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL3085826 | 788 | 57 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB06016 | 788 | 57 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
4011 | 81996 | 43 | None | -19 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
CHEMBL21731 | 81996 | 43 | None | -19 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
463 | 1378 | 17 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
6918097 | 1378 | 17 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
837 | 1378 | 17 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
CHEMBL2051956 | 1378 | 17 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
DB14068 | 1378 | 17 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
3952 | 1857 | 33 | None | -6 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5353646 | 1857 | 33 | None | -6 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5443 | 1857 | 33 | None | -6 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
5702063 | 1857 | 33 | None | -6 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL1331786 | 1857 | 33 | None | -6 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
CHEMBL420 | 1857 | 33 | None | -6 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
191 | 399 | 92 | None | -23 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
201 | 399 | 92 | None | -23 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
2170 | 399 | 92 | None | -23 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
CHEMBL1113 | 399 | 92 | None | -23 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
DB00543 | 399 | 92 | None | -23 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
2803 | 941 | 53 | None | -2 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
516 | 941 | 53 | None | -2 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
704 | 941 | 53 | None | -2 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
CHEMBL134 | 941 | 53 | None | -2 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
DB00575 | 941 | 53 | None | -2 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
277 | 1274 | 55 | None | -42 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
2913 | 1274 | 55 | None | -42 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
765 | 1274 | 55 | None | -42 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
CHEMBL516 | 1274 | 55 | None | -42 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
DB00434 | 1274 | 55 | None | -42 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
4543 | 169982 | 36 | None | -4 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL1201156 | 169982 | 36 | None | -4 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL445 | 169982 | 36 | None | -4 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
3151 | 1434 | 93 | None | -77 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
945 | 1434 | 93 | None | -77 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
965 | 1434 | 93 | None | -77 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
CHEMBL219916 | 1434 | 93 | None | -77 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
DB01184 | 1434 | 93 | None | -77 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
1443 | 1997 | 30 | None | -14 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
33625 | 1997 | 30 | None | -14 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
501 | 1997 | 30 | None | -14 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
CHEMBL279516 | 1997 | 30 | None | -14 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
DB08950 | 1997 | 30 | None | -14 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
135398745 | 2869 | 108 | UNDEFINED | -24 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2869 | 108 | UNDEFINED | -24 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2869 | 108 | UNDEFINED | -24 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2869 | 108 | UNDEFINED | -24 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
15897 | 2817 | 0 | 125I-HEAT | -275 | 36 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2817 | 0 | 125I-HEAT | -275 | 36 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2817 | 0 | 125I-HEAT | -275 | 36 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
1443 | 1997 | 30 | 125I-HEAT | -27 | 10 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
33625 | 1997 | 30 | 125I-HEAT | -27 | 10 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
501 | 1997 | 30 | 125I-HEAT | -27 | 10 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
CHEMBL279516 | 1997 | 30 | 125I-HEAT | -27 | 10 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
DB08950 | 1997 | 30 | 125I-HEAT | -27 | 10 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
None | 214486 | 0 | 125I-HEAT | -13489 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
16041091 | 94777 | 0 | UNDEFINED | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | ||
CHEMBL256041 | 94777 | 0 | UNDEFINED | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | ||
68602 | 203416 | 72 | 3H-PRAZOSIN | -18 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
CHEMBL77921 | 203416 | 72 | 3H-PRAZOSIN | -18 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
16041451 | 97359 | 0 | UNDEFINED | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
CHEMBL271913 | 97359 | 0 | UNDEFINED | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
25058166 | 214181 | 0 | 3H-PRAZOSIN | -177 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
6852389 | 214181 | 0 | 3H-PRAZOSIN | -177 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
103 | 4089 | 56 | 125I-HEAT | -5 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2875 | 4089 | 56 | 125I-HEAT | -5 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5736 | 4089 | 56 | 125I-HEAT | -5 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL285802 | 4089 | 56 | 125I-HEAT | -5 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB09225 | 4089 | 56 | 125I-HEAT | -5 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
463 | 1378 | 17 | None | -6 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
6918097 | 1378 | 17 | None | -6 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
837 | 1378 | 17 | None | -6 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
CHEMBL2051956 | 1378 | 17 | None | -6 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
DB14068 | 1378 | 17 | None | -6 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
228 | 441 | 26 | None | -1 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
33 | 441 | 26 | None | -1 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
6005 | 441 | 26 | None | -1 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
CHEMBL53 | 441 | 26 | None | -1 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
DB00714 | 441 | 26 | None | -1 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
6075 | 149575 | 36 | None | -4 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
CHEMBL395110 | 149575 | 36 | None | -4 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
102 | 4064 | 44 | None | -48 | 49 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4064 | 44 | None | -48 | 49 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4064 | 44 | None | -48 | 49 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4064 | 44 | None | -48 | 49 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4064 | 44 | None | -48 | 49 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
240 | 931 | 39 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
2769 | 931 | 39 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
44279790 | 931 | 39 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
660 | 931 | 39 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
CHEMBL1729 | 931 | 39 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
CHEMBL560739 | 931 | 39 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
DB00604 | 931 | 39 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
213 | 3792 | 50 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2717 | 3792 | 50 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5533 | 3792 | 50 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
CHEMBL621 | 3792 | 50 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
DB00656 | 3792 | 50 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
36811 | 1426 | 34 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
535 | 1426 | 34 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
937 | 1426 | 34 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
CHEMBL926 | 1426 | 34 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
DB00841 | 1426 | 34 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
2142 | 3047 | 54 | None | -12 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3047 | 54 | None | -12 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3047 | 54 | None | -12 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3047 | 54 | None | -12 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3047 | 54 | None | -12 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3047 | 54 | None | -12 | 36 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
1225 | 1443 | 24 | None | -26 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
3958 | 1443 | 24 | None | -26 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
667477 | 1443 | 24 | None | -26 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
CHEMBL860 | 1443 | 24 | None | -26 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
DB01142 | 1443 | 24 | None | -26 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
2801 | 161325 | 56 | None | -1 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
CHEMBL1200710 | 161325 | 56 | None | -1 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
CHEMBL415 | 161325 | 56 | None | -1 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
1960 | 2815 | 64 | None | -3 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
439260 | 2815 | 64 | None | -3 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
505 | 2815 | 64 | None | -3 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
CHEMBL1437 | 2815 | 64 | None | -3 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
DB00368 | 2815 | 64 | None | -3 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
2389 | 3279 | 114 | None | -23 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3279 | 114 | None | -23 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3279 | 114 | None | -23 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3279 | 114 | None | -23 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3279 | 114 | None | -23 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
133 | 2460 | 48 | None | -41 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
1723 | 2460 | 48 | None | -41 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
28693 | 2460 | 48 | None | -41 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
CHEMBL19215 | 2460 | 48 | None | -41 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
DB13520 | 2460 | 48 | None | -41 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
2337 | 3205 | 72 | None | -2 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3205 | 72 | None | -2 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3205 | 72 | None | -2 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3205 | 72 | None | -2 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3205 | 72 | None | -2 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
2286 | 3134 | 48 | None | -8 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
4927 | 3134 | 48 | None | -8 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
7282 | 3134 | 48 | None | -8 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
CHEMBL643 | 3134 | 48 | None | -8 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
DB01069 | 3134 | 48 | None | -8 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
135 | 2496 | 38 | None | -10 | 57 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2496 | 38 | None | -10 | 57 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2496 | 38 | None | -10 | 57 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2496 | 38 | None | -10 | 57 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2496 | 38 | None | -10 | 57 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
1353 | 1880 | 85 | None | -10 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1880 | 85 | None | -10 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1880 | 85 | None | -10 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1880 | 85 | None | -10 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1880 | 85 | None | -10 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
1201549 | 590 | 22 | None | -12 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
333 | 590 | 22 | None | -12 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
7601 | 590 | 22 | None | -12 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
CHEMBL1201203 | 590 | 22 | None | -12 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
CHEMBL438151 | 590 | 22 | None | -12 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
DB00245 | 590 | 22 | None | -12 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
135398745 | 2869 | 108 | None | -24 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2869 | 108 | None | -24 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2869 | 108 | None | -24 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2869 | 108 | None | -24 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
1531 | 2235 | 64 | None | -14 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
3869 | 2235 | 64 | None | -14 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
7207 | 2235 | 64 | None | -14 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
CHEMBL429 | 2235 | 64 | None | -14 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
DB00598 | 2235 | 64 | None | -14 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
2470 | 3596 | 46 | None | -389 | 59 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3596 | 46 | None | -389 | 59 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3596 | 46 | None | -389 | 59 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3596 | 46 | None | -389 | 59 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3596 | 46 | None | -389 | 59 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
135398737 | 944 | 89 | None | -2 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | None | -2 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | None | -2 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | None | -2 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
2142 | 3047 | 54 | None | -5 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
4920903 | 3047 | 54 | None | -5 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
502 | 3047 | 54 | None | -5 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
5775 | 3047 | 54 | None | -5 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
CHEMBL597 | 3047 | 54 | None | -5 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
DB00692 | 3047 | 54 | None | -5 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
1524 | 2150 | 89 | None | -7 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
197 | 2150 | 89 | None | -7 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
3822 | 2150 | 89 | None | -7 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
88 | 2150 | 89 | None | -7 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
CHEMBL51 | 2150 | 89 | None | -7 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
DB12465 | 2150 | 89 | None | -7 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
135398737 | 944 | 89 | 3H-PRAZOSIN | -3 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-PRAZOSIN | -3 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-PRAZOSIN | -3 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-PRAZOSIN | -3 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-PRAZOSIN | -3 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
26987 | 936 | 29 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
6063 | 936 | 29 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
671 | 936 | 29 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
CHEMBL1626 | 936 | 29 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
DB00283 | 936 | 29 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
2274 | 3124 | 53 | None | -5 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
4917 | 3124 | 53 | None | -5 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
7279 | 3124 | 53 | None | -5 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
CHEMBL728 | 3124 | 53 | None | -5 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
DB00433 | 3124 | 53 | None | -5 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
5639 | 98438 | 70 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | None | ||
CHEMBL279229 | 98438 | 70 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
179 | 396 | 107 | 3H-PRAZOSIN | -3090 | 50 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
2159 | 396 | 107 | 3H-PRAZOSIN | -3090 | 50 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
963 | 396 | 107 | 3H-PRAZOSIN | -3090 | 50 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
CHEMBL243712 | 396 | 107 | 3H-PRAZOSIN | -3090 | 50 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
DB06288 | 396 | 107 | 3H-PRAZOSIN | -3090 | 50 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
16041092 | 94936 | 0 | UNDEFINED | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | ||
CHEMBL256804 | 94936 | 0 | UNDEFINED | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | ||
16040907 | 97434 | 0 | UNDEFINED | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
CHEMBL272340 | 97434 | 0 | UNDEFINED | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
16041090 | 94949 | 0 | UNDEFINED | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | ||
CHEMBL256853 | 94949 | 0 | UNDEFINED | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
15897 | 2817 | 0 | 125I-HEAT | -275 | 36 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2817 | 0 | 125I-HEAT | -275 | 36 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2817 | 0 | 125I-HEAT | -275 | 36 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
68602 | 203416 | 72 | 3H-PRAZOSIN | -37 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
CHEMBL77921 | 203416 | 72 | 3H-PRAZOSIN | -37 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
2247 | 502 | 77 | None | -31 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
249 | 502 | 77 | None | -31 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
2603 | 502 | 77 | None | -31 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
CHEMBL296419 | 502 | 77 | None | -31 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
DB00637 | 502 | 77 | None | -31 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
1212 | 1632 | 45 | None | -18 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1632 | 45 | None | -18 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1632 | 45 | None | -18 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1632 | 45 | None | -18 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1632 | 45 | None | -18 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
1588 | 2294 | 24 | None | -30 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
28864 | 2294 | 24 | None | -30 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
43 | 2294 | 24 | None | -30 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL157138 | 2294 | 24 | None | -30 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB00589 | 2294 | 24 | None | -30 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
2470 | 3596 | 46 | None | -309 | 59 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3596 | 46 | None | -309 | 59 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3596 | 46 | None | -309 | 59 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3596 | 46 | None | -309 | 59 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3596 | 46 | None | -309 | 59 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
180 | 397 | 50 | None | -23 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
200 | 397 | 50 | None | -23 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
2160 | 397 | 50 | None | -23 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
CHEMBL629 | 397 | 50 | None | -23 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
DB00321 | 397 | 50 | None | -23 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
2470 | 3596 | 46 | 3H-PRAZOSIN | -309 | 59 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
3300 | 3596 | 46 | 3H-PRAZOSIN | -309 | 59 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
5265 | 3596 | 46 | 3H-PRAZOSIN | -309 | 59 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
99 | 3596 | 46 | 3H-PRAZOSIN | -309 | 59 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
CHEMBL267930 | 3596 | 46 | 3H-PRAZOSIN | -309 | 59 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
134551 | 355 | 25 | None | -10 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
271 | 355 | 25 | None | -10 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
885 | 355 | 25 | None | -10 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
CHEMBL1403281 | 355 | 25 | None | -10 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
3033538 | 1292 | 36 | None | 1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
7155 | 1292 | 36 | None | 1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
781 | 1292 | 36 | None | 1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
CHEMBL1201216 | 1292 | 36 | None | 1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
DB00298 | 1292 | 36 | None | 1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
2284 | 3133 | 27 | None | -3 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
4926 | 3133 | 27 | None | -3 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
7281 | 3133 | 27 | None | -3 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
CHEMBL564 | 3133 | 27 | None | -3 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
DB00420 | 3133 | 27 | None | -3 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
115 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
2092 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
7109 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
CHEMBL709 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
DB00346 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
115 | 340 | 66 | None | -1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
2092 | 340 | 66 | None | -1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
7109 | 340 | 66 | None | -1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
CHEMBL709 | 340 | 66 | None | -1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
DB00346 | 340 | 66 | None | -1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
11954224 | 214174 | 0 | None | -4073 | 59 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
31101 | 720 | 39 | None | -7 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
35 | 720 | 39 | None | -7 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
403 | 720 | 39 | None | -7 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
CHEMBL493 | 720 | 39 | None | -7 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
DB01200 | 720 | 39 | None | -7 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
11978813 | 713 | 72 | None | -10 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
5014 | 713 | 72 | None | -10 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
7672 | 713 | 72 | None | -10 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
CHEMBL2105760 | 713 | 72 | None | -10 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
DB09128 | 713 | 72 | None | -10 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
10531 | 1392 | 18 | None | -28 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
121 | 1392 | 18 | None | -28 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
888 | 1392 | 18 | None | -28 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
CHEMBL1732 | 1392 | 18 | None | -28 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
DB00320 | 1392 | 18 | None | -28 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
100 | 3745 | 52 | None | -1 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3745 | 52 | None | -1 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3745 | 52 | None | -1 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3745 | 52 | None | -1 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3745 | 52 | None | -1 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
4151 | 3550 | 85 | None | -16 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
493 | 3550 | 85 | None | -16 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
5312125 | 3550 | 85 | None | -16 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
CHEMBL24778 | 3550 | 85 | None | -16 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
DB06207 | 3550 | 85 | None | -16 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
16040907 | 97434 | 0 | UNDEFINED | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
CHEMBL272340 | 97434 | 0 | UNDEFINED | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
2726 | 906 | 64 | None | 1 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | None | 1 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | None | 1 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | None | 1 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | None | 1 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
102 | 4064 | 44 | None | -363 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4064 | 44 | None | -363 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4064 | 44 | None | -363 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4064 | 44 | None | -363 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4064 | 44 | None | -363 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3157 | 1442 | 69 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
7170 | 1442 | 69 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
954 | 1442 | 69 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
CHEMBL707 | 1442 | 69 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
DB00590 | 1442 | 69 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
4418 | 34000 | 80 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | None | ||
CHEMBL142635 | 34000 | 80 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | None | ||
2202 | 3083 | 91 | 3H-PRAZOSIN | -3 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
4850 | 3083 | 91 | 3H-PRAZOSIN | -3 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
49 | 3083 | 91 | 3H-PRAZOSIN | -3 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL1371770 | 3083 | 91 | 3H-PRAZOSIN | -3 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
DB12478 | 3083 | 91 | 3H-PRAZOSIN | -3 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
16041091 | 94777 | 0 | UNDEFINED | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | ||
CHEMBL256041 | 94777 | 0 | UNDEFINED | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
484 | 2814 | 45 | 125I-BE2254 | -93 | 35 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
951 | 2814 | 45 | 125I-BE2254 | -93 | 35 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
CHEMBL432 | 2814 | 45 | 125I-BE2254 | -93 | 35 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
3584 | 3718 | 60 | None | -1 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
5401 | 3718 | 60 | None | -1 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
7302 | 3718 | 60 | None | -1 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
6761 | 67457 | 17 | None | -1 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
CHEMBL1909072 | 67457 | 17 | None | -1 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
2585 | 790 | 100 | None | -4 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
522 | 790 | 100 | None | -4 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
551 | 790 | 100 | None | -4 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
CHEMBL723 | 790 | 100 | None | -4 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
DB01136 | 790 | 100 | None | -4 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
1238 | 201484 | 21 | None | -3 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
CHEMBL64249 | 201484 | 21 | None | -3 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
3168 | 9172 | 84 | None | -29 | 21 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
CHEMBL1108 | 9172 | 84 | None | -29 | 21 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
107715 | 199260 | 18 | None | -13 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | ||
CHEMBL1255837 | 199260 | 18 | None | -13 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | ||
CHEMBL601773 | 199260 | 18 | None | -13 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | ||
2435 | 3533 | 78 | None | -4 | 48 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
60149 | 3533 | 78 | None | -4 | 48 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
98 | 3533 | 78 | None | -4 | 48 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
CHEMBL12713 | 3533 | 78 | None | -4 | 48 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
DB06144 | 3533 | 78 | None | -4 | 48 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
None | 214827 | 0 | UNDEFINED | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4209 | 3114 | 71 | None | -4 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
4893 | 3114 | 71 | None | -4 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
503 | 3114 | 71 | None | -4 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
5385 | 3114 | 71 | None | -4 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
CHEMBL2 | 3114 | 71 | None | -4 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
DB00457 | 3114 | 71 | None | -4 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
16041090 | 94949 | 0 | UNDEFINED | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | ||
CHEMBL256853 | 94949 | 0 | UNDEFINED | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | ||
16041630 | 97098 | 0 | UNDEFINED | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | ||
CHEMBL270589 | 97098 | 0 | UNDEFINED | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | ||
102 | 4064 | 44 | 125I-BE2254 | -363 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
3659 | 4064 | 44 | 125I-BE2254 | -363 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
8969 | 4064 | 44 | 125I-BE2254 | -363 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
CHEMBL15245 | 4064 | 44 | 125I-BE2254 | -363 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
DB01392 | 4064 | 44 | 125I-BE2254 | -363 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
1753 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10433504 | ||
1753 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
1753 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | ||
483 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10433504 | ||
483 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
483 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | ||
6082 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10433504 | ||
6082 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
6082 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | ||
CHEMBL524 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10433504 | ||
CHEMBL524 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
CHEMBL524 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | ||
DB00723 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10433504 | ||
DB00723 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
DB00723 | 2468 | 26 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | ||
2146 | 3051 | 63 | None | -64 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | ||
485 | 3051 | 63 | None | -64 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | ||
6041 | 3051 | 63 | None | -64 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | ||
CHEMBL1215 | 3051 | 63 | None | -64 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | ||
DB00388 | 3051 | 63 | None | -64 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | ||
247704 | 288 | 26 | None | 3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 7651358 | ||
4450 | 288 | 26 | None | 3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 7651358 | ||
CHEMBL42280 | 288 | 26 | None | 3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 7651358 | ||
1028 | 287 | 69 | None | -22 | 29 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | ||
139148732 | 287 | 69 | None | -22 | 29 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | ||
479 | 287 | 69 | None | -22 | 29 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | ||
5816 | 287 | 69 | None | -22 | 29 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | ||
CHEMBL679 | 287 | 69 | None | -22 | 29 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | ||
DB00668 | 287 | 69 | None | -22 | 29 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | ||
1960 | 2815 | 64 | None | -21 | 26 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | ||
439260 | 2815 | 64 | None | -21 | 26 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | ||
505 | 2815 | 64 | None | -21 | 26 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | ||
CHEMBL1437 | 2815 | 64 | None | -21 | 26 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | ||
DB00368 | 2815 | 64 | None | -21 | 26 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | ||
1531 | 2235 | 64 | None | -14 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 32608144 | ||
3869 | 2235 | 64 | None | -14 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 32608144 | ||
7207 | 2235 | 64 | None | -14 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 32608144 | ||
CHEMBL429 | 2235 | 64 | None | -14 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 32608144 | ||
DB00598 | 2235 | 64 | None | -14 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 32608144 | ||
1028 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
1028 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
1028 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
139148732 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
139148732 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
139148732 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
479 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
479 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
479 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
5816 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
5816 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
5816 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
CHEMBL679 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
CHEMBL679 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
CHEMBL679 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
DB00668 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
DB00668 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
DB00668 | 287 | 69 | None | -8 | 29 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
1960 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
1960 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
1960 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
439260 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
439260 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
439260 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
505 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
505 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
505 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
CHEMBL1437 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
CHEMBL1437 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
CHEMBL1437 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
DB00368 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
DB00368 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
DB00368 | 2815 | 64 | None | -3 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
2142 | 3047 | 54 | None | -5 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | ||
2142 | 3047 | 54 | None | -5 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | ||
4920903 | 3047 | 54 | None | -5 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | ||
4920903 | 3047 | 54 | None | -5 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | ||
502 | 3047 | 54 | None | -5 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | ||
502 | 3047 | 54 | None | -5 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | ||
5775 | 3047 | 54 | None | -5 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | ||
5775 | 3047 | 54 | None | -5 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | ||
CHEMBL597 | 3047 | 54 | None | -5 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | ||
CHEMBL597 | 3047 | 54 | None | -5 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | ||
DB00692 | 3047 | 54 | None | -5 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | ||
DB00692 | 3047 | 54 | None | -5 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | ||
10453764 | 2167 | 0 | None | 1 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 402 | 4 | 0 | 8 | 0.9 | Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C | 17639498 | ||
8896 | 2167 | 0 | None | 1 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 402 | 4 | 0 | 8 | 0.9 | Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C | 17639498 | ||
3567002 | 3335 | 5 | None | -58 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10369480 | ||
3567002 | 3335 | 5 | None | -58 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 32608144 | ||
7381 | 3335 | 5 | None | -58 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10369480 | ||
7381 | 3335 | 5 | None | -58 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 32608144 | ||
CHEMBL56331 | 3335 | 5 | None | -58 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10369480 | ||
CHEMBL56331 | 3335 | 5 | None | -58 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 32608144 | ||
115 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | ||
115 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | ||
2092 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | ||
2092 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | ||
7109 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | ||
7109 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | ||
CHEMBL709 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | ||
CHEMBL709 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | ||
DB00346 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | ||
DB00346 | 340 | 66 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | ||
3584 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | ||
5401 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | ||
7302 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | ||
CHEMBL611 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | ||
DB01162 | 3718 | 60 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | ||
3033538 | 1292 | 36 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 32608144 | ||
7155 | 1292 | 36 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 32608144 | ||
781 | 1292 | 36 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 32608144 | ||
CHEMBL1201216 | 1292 | 36 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 32608144 | ||
DB00298 | 1292 | 36 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 32608144 | ||
3157 | 1442 | 69 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | ||
7170 | 1442 | 69 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | ||
954 | 1442 | 69 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | ||
CHEMBL707 | 1442 | 69 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | ||
DB00590 | 1442 | 69 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11459121 | ||
2419 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 32608144 | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11459121 | ||
9 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 32608144 | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11459121 | ||
CHEMBL13647 | 688 | 22 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 32608144 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | ||
4209 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | ||
4893 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | ||
503 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | ||
5385 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | ||
CHEMBL2 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | ||
DB00457 | 3114 | 71 | None | -2 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | ||
129211 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | ||
2562 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | ||
488 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | ||
CHEMBL836 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | ||
DB00706 | 3692 | 75 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | ||
37 | 766 | 56 | None | -2 | 17 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
460 | 766 | 56 | None | -2 | 17 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
54746 | 766 | 56 | None | -2 | 17 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
CHEMBL1201087 | 766 | 56 | None | -2 | 17 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
DB00248 | 766 | 56 | None | -2 | 17 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
2601 | 3721 | 30 | None | -5 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
443951 | 3721 | 30 | None | -5 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
56 | 3721 | 30 | None | -5 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL73151 | 3721 | 30 | None | -5 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB13399 | 3721 | 30 | None | -5 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
15010 | 393 | 0 | None | - | 1 | Rat | 4.2 | pKi | None | 4.2 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 4 | 0.3 | CNCC(c1cccc(c1)NS(=O)(=O)C)O | 7969082 | ||
155 | 393 | 0 | None | - | 1 | Rat | 4.2 | pKi | None | 4.2 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 4 | 0.3 | CNCC(c1cccc(c1)NS(=O)(=O)C)O | 7969082 | ||
514 | 393 | 0 | None | - | 1 | Rat | 4.2 | pKi | None | 4.2 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 4 | 0.3 | CNCC(c1cccc(c1)NS(=O)(=O)C)O | 7969082 | ||
CHEMBL146408 | 393 | 0 | None | - | 1 | Rat | 4.2 | pKi | None | 4.2 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 4 | 0.3 | CNCC(c1cccc(c1)NS(=O)(=O)C)O | 7969082 | ||
1753 | 2468 | 26 | None | 1 | 5 | Rat | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7969082 | ||
483 | 2468 | 26 | None | 1 | 5 | Rat | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7969082 | ||
6082 | 2468 | 26 | None | 1 | 5 | Rat | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7969082 | ||
CHEMBL524 | 2468 | 26 | None | 1 | 5 | Rat | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7969082 | ||
DB00723 | 2468 | 26 | None | 1 | 5 | Rat | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7969082 | ||
481 | 2848 | 5 | None | -4 | 3 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 8719417 | ||
9838763 | 2848 | 5 | None | -4 | 3 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 8719417 | ||
CHEMBL72958 | 2848 | 5 | None | -4 | 3 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 8719417 | ||
121925 | 1995 | 0 | None | - | 1 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 215 | 1 | 2 | 5 | 0.9 | Cn1nc2c(c1)c(ccc2)NC1=NCCN1 | 7969082 | ||
512 | 1995 | 0 | None | - | 1 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 215 | 1 | 2 | 5 | 0.9 | Cn1nc2c(c1)c(ccc2)NC1=NCCN1 | 7969082 | ||
CHEMBL358373 | 1995 | 0 | None | - | 1 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 215 | 1 | 2 | 5 | 0.9 | Cn1nc2c(c1)c(ccc2)NC1=NCCN1 | 7969082 | ||
164739 | 1143 | 38 | None | - | 1 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | 7969082 | ||
4482 | 1143 | 38 | None | - | 1 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | 7969082 | ||
508 | 1143 | 38 | None | - | 1 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | 7969082 | ||
CHEMBL677 | 1143 | 38 | None | - | 1 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | 7969082 | ||
DB06707 | 1143 | 38 | None | - | 1 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | 7969082 | ||
1862 | 161 | 14 | None | 1 | 7 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 7969082 | ||
510 | 161 | 14 | None | 1 | 7 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 7969082 | ||
CHEMBL281232 | 161 | 14 | None | 1 | 7 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 7969082 | ||
3658 | 4044 | 47 | None | -389 | 8 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 7969082 | ||
517 | 4044 | 47 | None | -389 | 8 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 7969082 | ||
5709 | 4044 | 47 | None | -389 | 8 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 7969082 | ||
CHEMBL312448 | 4044 | 47 | None | -389 | 8 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 7969082 | ||
DB06694 | 4044 | 47 | None | -389 | 8 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 7969082 | ||
128805 | 3563 | 0 | None | - | 1 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 223 | 2 | 1 | 3 | 2.2 | COc1ccc(c2c1CC(N)CC2)SC | 7969082 | ||
511 | 3563 | 0 | None | - | 1 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 223 | 2 | 1 | 3 | 2.2 | COc1ccc(c2c1CC(N)CC2)SC | 7969082 | ||
CHEMBL280395 | 3563 | 0 | None | - | 1 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 223 | 2 | 1 | 3 | 2.2 | COc1ccc(c2c1CC(N)CC2)SC | 7969082 | ||
124 | 2933 | 44 | None | -338 | 32 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7969082 | ||
2032 | 2933 | 44 | None | -338 | 32 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7969082 | ||
4636 | 2933 | 44 | None | -338 | 32 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7969082 | ||
CHEMBL762 | 2933 | 44 | None | -338 | 32 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7969082 | ||
DB00935 | 2933 | 44 | None | -338 | 32 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7969082 | ||
124 | 2933 | 44 | None | -380 | 32 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | ||
124 | 2933 | 44 | None | -380 | 32 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | ||
2032 | 2933 | 44 | None | -380 | 32 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | ||
2032 | 2933 | 44 | None | -380 | 32 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | ||
4636 | 2933 | 44 | None | -380 | 32 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | ||
4636 | 2933 | 44 | None | -380 | 32 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | ||
CHEMBL762 | 2933 | 44 | None | -380 | 32 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | ||
CHEMBL762 | 2933 | 44 | None | -380 | 32 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | ||
DB00935 | 2933 | 44 | None | -380 | 32 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | ||
DB00935 | 2933 | 44 | None | -380 | 32 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | ||
114697 | 3631 | 4 | None | -1 | 3 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 263 | 1 | 2 | 3 | 2.7 | Clc1ccc(cc1NC1=NCCN1)C(F)(F)F | 7969082 | ||
513 | 3631 | 4 | None | -1 | 3 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 263 | 1 | 2 | 3 | 2.7 | Clc1ccc(cc1NC1=NCCN1)C(F)(F)F | 7969082 | ||
CHEMBL101340 | 3631 | 4 | None | -1 | 3 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 263 | 1 | 2 | 3 | 2.7 | Clc1ccc(cc1NC1=NCCN1)C(F)(F)F | 7969082 | ||
1443 | 1997 | 30 | None | -14 | 10 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | ||
33625 | 1997 | 30 | None | -14 | 10 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | ||
501 | 1997 | 30 | None | -14 | 10 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | ||
CHEMBL279516 | 1997 | 30 | None | -14 | 10 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | ||
DB08950 | 1997 | 30 | None | -14 | 10 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | ||
2765 | 930 | 16 | None | -3 | 6 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 7969082 | ||
515 | 930 | 16 | None | -3 | 6 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 7969082 | ||
CHEMBL13852 | 930 | 16 | None | -3 | 6 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 7969082 | ||
DB09202 | 930 | 16 | None | -3 | 6 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 7969082 | ||
2803 | 941 | 53 | None | -2 | 19 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 7969082 | ||
516 | 941 | 53 | None | -2 | 19 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 7969082 | ||
704 | 941 | 53 | None | -2 | 19 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 7969082 | ||
CHEMBL134 | 941 | 53 | None | -2 | 19 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 7969082 | ||
DB00575 | 941 | 53 | None | -2 | 19 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 7969082 | ||
277 | 1274 | 55 | None | -42 | 45 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | ||
2913 | 1274 | 55 | None | -42 | 45 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | ||
765 | 1274 | 55 | None | -42 | 45 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | ||
CHEMBL516 | 1274 | 55 | None | -42 | 45 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | ||
DB00434 | 1274 | 55 | None | -42 | 45 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | ||
518 | 3555 | 1 | None | -5 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 7568329 | ||
9839317 | 3555 | 1 | None | -5 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 7568329 | ||
CHEMBL123138 | 3555 | 1 | None | -5 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 7568329 | ||
497 | 3313 | 6 | None | -61 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10369480 | ||
9872515 | 3313 | 6 | None | -61 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10369480 | ||
CHEMBL24777 | 3313 | 6 | None | -61 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10369480 | ||
2389 | 3279 | 114 | None | -23 | 67 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | ||
5073 | 3279 | 114 | None | -23 | 67 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | ||
96 | 3279 | 114 | None | -23 | 67 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | ||
CHEMBL85 | 3279 | 114 | None | -23 | 67 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | ||
DB00734 | 3279 | 114 | None | -23 | 67 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | ||
487 | 3577 | 17 | None | -239 | 12 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | ||
487 | 3577 | 17 | None | -239 | 12 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | ||
60602 | 3577 | 17 | None | -239 | 12 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | ||
60602 | 3577 | 17 | None | -239 | 12 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | ||
CHEMBL405355 | 3577 | 17 | None | -239 | 12 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | ||
CHEMBL405355 | 3577 | 17 | None | -239 | 12 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | ||
DB09239 | 3577 | 17 | None | -239 | 12 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | ||
DB09239 | 3577 | 17 | None | -239 | 12 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | ||
135 | 2496 | 38 | None | -10 | 57 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | ||
1796 | 2496 | 38 | None | -10 | 57 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | ||
4184 | 2496 | 38 | None | -10 | 57 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | ||
CHEMBL6437 | 2496 | 38 | None | -10 | 57 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | ||
DB06148 | 2496 | 38 | None | -10 | 57 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | ||
489 | 145 | 22 | None | -22 | 13 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11459121 | ||
489 | 145 | 22 | None | -22 | 13 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 7651358 | ||
489 | 145 | 22 | None | -22 | 13 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9249248 | ||
5640 | 145 | 22 | None | -22 | 13 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11459121 | ||
5640 | 145 | 22 | None | -22 | 13 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 7651358 | ||
5640 | 145 | 22 | None | -22 | 13 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9249248 | ||
CHEMBL420060 | 145 | 22 | None | -22 | 13 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11459121 | ||
CHEMBL420060 | 145 | 22 | None | -22 | 13 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 7651358 | ||
CHEMBL420060 | 145 | 22 | None | -22 | 13 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9249248 | ||
132266 | 1252 | 9 | None | -26 | 9 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | ||
486 | 1252 | 9 | None | -26 | 9 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | ||
CHEMBL423294 | 1252 | 9 | None | -26 | 9 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | ||
135398737 | 944 | 89 | None | -2 | 91 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | ||
38 | 944 | 89 | None | -2 | 91 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | ||
722 | 944 | 89 | None | -2 | 91 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | ||
CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | ||
DB00363 | 944 | 89 | None | -2 | 91 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | ||
1524 | 2150 | 89 | None | -7 | 51 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | ||
197 | 2150 | 89 | None | -7 | 51 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | ||
3822 | 2150 | 89 | None | -7 | 51 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | ||
88 | 2150 | 89 | None | -7 | 51 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | ||
CHEMBL51 | 2150 | 89 | None | -7 | 51 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | ||
DB12465 | 2150 | 89 | None | -7 | 51 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | ||
5074 | 3280 | 75 | None | -29 | 29 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | ||
97 | 3280 | 75 | None | -29 | 29 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | ||
CHEMBL267777 | 3280 | 75 | None | -29 | 29 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | ||
DB12693 | 3280 | 75 | None | -29 | 29 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | ||
3894573 | 3341 | 4 | None | -19 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 9249248 | ||
495 | 3341 | 4 | None | -19 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 9249248 | ||
CHEMBL88272 | 3341 | 4 | None | -19 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 9249248 | ||
148842 | 3883 | 21 | None | -8 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 9249248 | ||
496 | 3883 | 21 | None | -8 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 9249248 | ||
CHEMBL278865 | 3883 | 21 | None | -8 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 9249248 | ||
5268 | 3599 | 34 | None | -39 | 17 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 11459121 | ||
53 | 3599 | 34 | None | -39 | 17 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 11459121 | ||
CHEMBL300555 | 3599 | 34 | None | -39 | 17 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 11459121 | ||
2470 | 3596 | 46 | None | -309 | 59 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | ||
3300 | 3596 | 46 | None | -309 | 59 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | ||
5265 | 3596 | 46 | None | -309 | 59 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | ||
99 | 3596 | 46 | None | -309 | 59 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | ||
CHEMBL267930 | 3596 | 46 | None | -309 | 59 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | ||
132266 | 1252 | 9 | None | -11 | 9 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | ||
486 | 1252 | 9 | None | -11 | 9 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | ||
CHEMBL423294 | 1252 | 9 | None | -11 | 9 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | ||
4151 | 3550 | 85 | None | -16 | 3 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | ||
493 | 3550 | 85 | None | -16 | 3 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | ||
5312125 | 3550 | 85 | None | -16 | 3 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | ||
CHEMBL24778 | 3550 | 85 | None | -16 | 3 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | ||
DB06207 | 3550 | 85 | None | -16 | 3 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | ||
2419 | 688 | 22 | None | -3 | 12 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | ||
9 | 688 | 22 | None | -3 | 12 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | ||
CHEMBL13647 | 688 | 22 | None | -3 | 12 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | ||
4431 | 2689 | 18 | None | -1 | 12 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 11459121 | ||
73 | 2689 | 18 | None | -1 | 12 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 11459121 | ||
CHEMBL8618 | 2689 | 18 | None | -1 | 12 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 11459121 | ||
491 | 191 | 4 | None | -3 | 12 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | ||
9891167 | 191 | 4 | None | -3 | 12 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | ||
CHEMBL13856 | 191 | 4 | None | -3 | 12 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | ||
490 | 190 | 5 | None | -2 | 12 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | ||
9890547 | 190 | 5 | None | -2 | 12 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | ||
CHEMBL268758 | 190 | 5 | None | -2 | 12 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | ||
499 | 4014 | 15 | None | -1 | 15 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7651358 | ||
499 | 4014 | 15 | None | -1 | 15 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9249248 | ||
5685 | 4014 | 15 | None | -1 | 15 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7651358 | ||
5685 | 4014 | 15 | None | -1 | 15 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9249248 | ||
CHEMBL25554 | 4014 | 15 | None | -1 | 15 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7651358 | ||
CHEMBL25554 | 4014 | 15 | None | -1 | 15 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9249248 | ||
490 | 190 | 5 | None | 2 | 12 | Rat | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | ||
9890547 | 190 | 5 | None | 2 | 12 | Rat | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | ||
CHEMBL268758 | 190 | 5 | None | 2 | 12 | Rat | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | ||
491 | 191 | 4 | None | 3 | 12 | Rat | 9.8 | pKi | None | 9.8 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | ||
9891167 | 191 | 4 | None | 3 | 12 | Rat | 9.8 | pKi | None | 9.8 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | ||
CHEMBL13856 | 191 | 4 | None | 3 | 12 | Rat | 9.8 | pKi | None | 9.8 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 |