Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
Vendors |
Reference ligand |
Fold selectivity |
Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
155491018 | 174081 | 1 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174081 | 1 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
10585 | 1078 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1078 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1078 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
155491018 | 174081 | 1 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174081 | 1 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
10585 | 1078 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1078 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1078 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
155491018 | 174081 | 1 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174081 | 1 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155491018 | 174081 | 1 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174081 | 1 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
44453327 | 95093 | 25 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL255408 | 95093 | 25 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
10585 | 1078 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1078 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1078 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
10585 | 1078 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1078 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1078 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
155491018 | 174081 | 1 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174081 | 1 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155491018 | 174081 | 1 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174081 | 1 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
69212799 | 77974 | 3 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL2096789 | 77974 | 3 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
508750 | 168533 | 1 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 7 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL435499 | 168533 | 1 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 7 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
10585 | 1078 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1078 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1078 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
10585 | 1078 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1078 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1078 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
44395055 | 64502 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL181432 | 64502 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
73351183 | 93232 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL2448120 | 93232 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
70697571 | 77973 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL2096788 | 77973 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
11735999 | 189348 | 0 | None | - | 1 | Human | 10.4 | pED50 | = | 10.4 | Functional | ChEMBL | 212 | 1 | 2 | 2 | 0.8 | CC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL512607 | 189348 | 0 | None | - | 1 | Human | 10.4 | pED50 | = | 10.4 | Functional | ChEMBL | 212 | 1 | 2 | 2 | 0.8 | CC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11322108 | 178565 | 0 | None | - | 1 | Human | 10.2 | pED50 | = | 10.2 | Functional | ChEMBL | 226 | 3 | 2 | 2 | 1.2 | CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL467070 | 178565 | 0 | None | - | 1 | Human | 10.2 | pED50 | = | 10.2 | Functional | ChEMBL | 226 | 3 | 2 | 2 | 1.2 | CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11254190 | 189350 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 268 | 5 | 2 | 2 | 2.2 | CC(C)CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL512615 | 189350 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 268 | 5 | 2 | 2 | 2.2 | CC(C)CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11651747 | 173767 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 1.7 | CC1(C(=O)N[C@H]2CCCCNC2=O)CCCCC1 | 10.1021/jm900133w | ||
CHEMBL453720 | 173767 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 1.7 | CC1(C(=O)N[C@H]2CCCCNC2=O)CCCCC1 | 10.1021/jm900133w | ||
11659300 | 178762 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 290 | 2 | 2 | 2 | 2.0 | O=C1NCCCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm900133w | ||
CHEMBL468733 | 178762 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 290 | 2 | 2 | 2 | 2.0 | O=C1NCCCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm900133w | ||
11151928 | 189485 | 0 | None | 1 | 4 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL513863 | 189485 | 0 | None | 1 | 4 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11173161 | 188805 | 0 | None | - | 1 | Human | 9.7 | pED50 | = | 9.7 | Functional | ChEMBL | 266 | 4 | 2 | 2 | 2.2 | CC(C)=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL506023 | 188805 | 0 | None | - | 1 | Human | 9.7 | pED50 | = | 9.7 | Functional | ChEMBL | 266 | 4 | 2 | 2 | 2.2 | CC(C)=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
44157844 | 189287 | 0 | None | - | 1 | Human | 9.4 | pED50 | = | 9.4 | Functional | ChEMBL | 290 | 2 | 2 | 2 | 2.0 | O=C1NCCCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm900133w | ||
CHEMBL512094 | 189287 | 0 | None | - | 1 | Human | 9.4 | pED50 | = | 9.4 | Functional | ChEMBL | 290 | 2 | 2 | 2 | 2.0 | O=C1NCCCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm900133w | ||
11218678 | 170351 | 0 | None | - | 1 | Human | 9.3 | pED50 | = | 9.3 | Functional | ChEMBL | 240 | 4 | 2 | 2 | 1.6 | CCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL444736 | 170351 | 0 | None | - | 1 | Human | 9.3 | pED50 | = | 9.3 | Functional | ChEMBL | 240 | 4 | 2 | 2 | 1.6 | CCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11543222 | 193505 | 3 | None | - | 1 | Human | 9.3 | pED50 | = | 9.3 | Functional | ChEMBL | 238 | 2 | 2 | 2 | 1.4 | O=C(N[C@H]1CCCCNC1=O)C1CCCCC1 | 10.1021/jm900133w | ||
CHEMBL526704 | 193505 | 3 | None | - | 1 | Human | 9.3 | pED50 | = | 9.3 | Functional | ChEMBL | 238 | 2 | 2 | 2 | 1.4 | O=C(N[C@H]1CCCCNC1=O)C1CCCCC1 | 10.1021/jm900133w | ||
11536008 | 178592 | 0 | None | - | 0 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 236 | 2 | 2 | 2 | 1.3 | O=C(N[C@H]1CCCCNC1=O)C1=CCCCC1 | 10.1021/jm900133w | ||
CHEMBL467276 | 178592 | 0 | None | - | 0 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 236 | 2 | 2 | 2 | 1.3 | O=C(N[C@H]1CCCCNC1=O)C1=CCCCC1 | 10.1021/jm900133w | ||
11551248 | 178658 | 0 | None | - | 0 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 304 | 3 | 2 | 2 | 2.4 | O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL467685 | 178658 | 0 | None | - | 0 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 304 | 3 | 2 | 2 | 2.4 | O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11390777 | 172614 | 0 | None | - | 0 | Human | 9.0 | pED50 | = | 9 | Functional | ChEMBL | 238 | 4 | 2 | 2 | 1.4 | C=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL449215 | 172614 | 0 | None | - | 0 | Human | 9.0 | pED50 | = | 9 | Functional | ChEMBL | 238 | 4 | 2 | 2 | 1.4 | C=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11198073 | 178477 | 0 | None | - | 1 | Human | 8.0 | pED50 | = | 8 | Functional | ChEMBL | 322 | 10 | 2 | 2 | 3.9 | CCCCCCCCC/C=C(\C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL466434 | 178477 | 0 | None | - | 1 | Human | 8.0 | pED50 | = | 8 | Functional | ChEMBL | 322 | 10 | 2 | 2 | 3.9 | CCCCCCCCC/C=C(\C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11370332 | 63294 | 0 | None | - | 1 | Human | 7.8 | pED50 | = | 7.8 | Functional | ChEMBL | 310 | 11 | 2 | 2 | 3.7 | CCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL179312 | 63294 | 0 | None | - | 1 | Human | 7.8 | pED50 | = | 7.8 | Functional | ChEMBL | 310 | 11 | 2 | 2 | 3.7 | CCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
44157843 | 178475 | 0 | None | - | 1 | Human | 6.7 | pED50 | = | 6.7 | Functional | ChEMBL | 324 | 11 | 2 | 2 | 3.9 | CCCCCCCCCCC(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL466432 | 178475 | 0 | None | - | 1 | Human | 6.7 | pED50 | = | 6.7 | Functional | ChEMBL | 324 | 11 | 2 | 2 | 3.9 | CCCCCCCCCCC(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
44157843 | 178475 | 0 | None | - | 1 | Human | 8.5 | pED50 | = | 8.5 | Functional | ChEMBL | 324 | 11 | 2 | 2 | 3.9 | CCCCCCCCCCC(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL466432 | 178475 | 0 | None | - | 1 | Human | 8.5 | pED50 | = | 8.5 | Functional | ChEMBL | 324 | 11 | 2 | 2 | 3.9 | CCCCCCCCCCC(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11151929 | 178761 | 0 | None | - | 0 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCC(C)(C)CC(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL468732 | 178761 | 0 | None | - | 0 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCC(C)(C)CC(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11359715 | 178760 | 0 | None | - | 0 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL468720 | 178760 | 0 | None | - | 0 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11544064 | 178476 | 0 | None | - | 1 | Human | 8.3 | pED50 | = | 8.3 | Functional | ChEMBL | 308 | 6 | 2 | 2 | 3.2 | CCCCCC1CCC(C(=O)N[C@H]2CCCCNC2=O)CC1 | 10.1021/jm900133w | ||
CHEMBL466433 | 178476 | 0 | None | - | 1 | Human | 8.3 | pED50 | = | 8.3 | Functional | ChEMBL | 308 | 6 | 2 | 2 | 3.2 | CCCCCC1CCC(C(=O)N[C@H]2CCCCNC2=O)CC1 | 10.1021/jm900133w | ||
11609693 | 189210 | 0 | None | - | 0 | Human | 8.2 | pED50 | = | 8.2 | Functional | ChEMBL | 334 | 6 | 2 | 2 | 3.7 | CCCCCC12CCC(C(=O)N[C@H]3CCCCNC3=O)(CC1)CC2 | 10.1021/jm900133w | ||
CHEMBL511426 | 189210 | 0 | None | - | 0 | Human | 8.2 | pED50 | = | 8.2 | Functional | ChEMBL | 334 | 6 | 2 | 2 | 3.7 | CCCCCC12CCC(C(=O)N[C@H]3CCCCNC3=O)(CC1)CC2 | 10.1021/jm900133w | ||
11437477 | 188622 | 0 | None | - | 1 | Human | 8.1 | pED50 | = | 8.1 | Functional | ChEMBL | 280 | 4 | 2 | 2 | 1.3 | CC(CCl)(CCl)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL502976 | 188622 | 0 | None | - | 1 | Human | 8.1 | pED50 | = | 8.1 | Functional | ChEMBL | 280 | 4 | 2 | 2 | 1.3 | CC(CCl)(CCl)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
44593562 | 187493 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494191 | 187493 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
86642531 | 138301 | 0 | None | 10 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 482 | 2 | 2 | 6 | 2.6 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770912 | 138301 | 0 | None | 10 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 482 | 2 | 2 | 6 | 2.6 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
44425645 | 86080 | 0 | None | 7 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230933 | 86080 | 0 | None | 7 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
10240064 | 188426 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502247 | 188426 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44593562 | 187493 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494191 | 187493 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44425652 | 168766 | 0 | None | 12 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL437359 | 168766 | 0 | None | 12 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
10289827 | 187974 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL497202 | 187974 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44593563 | 193108 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL522688 | 193108 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44425647 | 86099 | 0 | None | 5 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231039 | 86099 | 0 | None | 5 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44425292 | 85966 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230281 | 85966 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44425292 | 85966 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230281 | 85966 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
10240064 | 188426 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502247 | 188426 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
46865775 | 8112 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1091605 | 8112 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
24801689 | 97792 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
CHEMBL271828 | 97792 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
44425255 | 168882 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 650 | 8 | 2 | 5 | 7.2 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL438304 | 168882 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 650 | 8 | 2 | 5 | 7.2 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44425652 | 168766 | 0 | None | 12 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL437359 | 168766 | 0 | None | 12 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
59370257 | 138162 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 428 | 2 | 2 | 6 | 1.9 | Cc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
CHEMBL3769444 | 138162 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 428 | 2 | 2 | 6 | 1.9 | Cc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
10129192 | 188457 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 599 | 11 | 2 | 6 | 4.6 | CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502793 | 188457 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 599 | 11 | 2 | 6 | 4.6 | CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
11598 | 672 | 9 | None | 812 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00373 | ||
23725177 | 672 | 9 | None | 812 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00373 | ||
CHEMBL4442783 | 672 | 9 | None | 812 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00373 | ||
44425254 | 142258 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL388487 | 142258 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
16216716 | 153527 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL397996 | 153527 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44425645 | 86080 | 0 | None | 7 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230933 | 86080 | 0 | None | 7 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
11597 | 673 | 5 | None | 11 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
23725180 | 673 | 5 | None | 11 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
CHEMBL4781426 | 673 | 5 | None | 11 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
51039119 | 176215 | 33 | None | -1 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
CHEMBL4594419 | 176215 | 33 | None | -1 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
44593564 | 187230 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL492564 | 187230 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
25022597 | 95337 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL256629 | 95337 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
44453440 | 97686 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271288 | 97686 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
183790 | 3740 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
783 | 3740 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL1178786 | 3740 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
183790 | 3740 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
783 | 3740 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
CHEMBL1178786 | 3740 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
24801690 | 98039 | 25 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL273083 | 98039 | 25 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
57402219 | 71006 | 0 | None | 52 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
CHEMBL1951766 | 71006 | 0 | None | 52 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
24801690 | 98039 | 25 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
CHEMBL273083 | 98039 | 25 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
44593564 | 187230 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL492564 | 187230 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44573649 | 187233 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL492569 | 187233 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44593562 | 187493 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494191 | 187493 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
10175425 | 193531 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 614 | 10 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL526752 | 193531 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 614 | 10 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
127025088 | 138261 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 420 | 3 | 2 | 6 | 1.8 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770530 | 138261 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 420 | 3 | 2 | 6 | 1.8 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)C1 | 10.1039/C5MD00362H | ||
127025086 | 138181 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 442 | 4 | 2 | 6 | 2.3 | CC(C)c1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
CHEMBL3769610 | 138181 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 442 | 4 | 2 | 6 | 2.3 | CC(C)c1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
46865774 | 8111 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1091604 | 8111 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
86642531 | 138301 | 0 | None | -10 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 482 | 2 | 2 | 6 | 2.6 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770912 | 138301 | 0 | None | -10 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 482 | 2 | 2 | 6 | 2.6 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
10007642 | 19107 | 0 | None | 2 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289203 | 19107 | 0 | None | 2 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
10218403 | 187908 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 557 | 9 | 3 | 6 | 3.5 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL496630 | 187908 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 557 | 9 | 3 | 6 | 3.5 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
46886055 | 8042 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 593 | 9 | 1 | 5 | 4.8 | CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1090893 | 8042 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 593 | 9 | 1 | 5 | 4.8 | CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
127025093 | 138212 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 428 | 4 | 2 | 6 | 1.7 | CCc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
CHEMBL3769984 | 138212 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 428 | 4 | 2 | 6 | 1.7 | CCc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
46830335 | 8213 | 8 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092238 | 8213 | 8 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
11365166 | 74542 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029423 | 74542 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
52941377 | 19327 | 0 | None | 7 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290637 | 19327 | 0 | None | 7 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
16216716 | 153527 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL397996 | 153527 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44425292 | 85966 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230281 | 85966 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
16216716 | 153527 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL397996 | 153527 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
11353855 | 74547 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029568 | 74547 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
44425652 | 168766 | 0 | None | 12 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL437359 | 168766 | 0 | None | 12 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44425652 | 168766 | 0 | None | 12 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL437359 | 168766 | 0 | None | 12 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
57335017 | 70336 | 0 | None | 1380 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944776 | 70336 | 0 | None | 1380 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
70691785 | 73725 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 606 | 12 | 6 | 6 | 2.9 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCNCC1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018391 | 73725 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 606 | 12 | 6 | 6 | 2.9 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCNCC1 | 10.1016/j.bmcl.2012.03.007 | ||
46830336 | 7848 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089793 | 7848 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
54754967 | 77828 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 518 | 7 | 4 | 7 | 3.0 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL2092884 | 77828 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 518 | 7 | 4 | 7 | 3.0 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
10239991 | 188445 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502516 | 188445 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
57391766 | 71015 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cnccn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951776 | 71015 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cnccn3)CC2)C1 | 10.1021/ml200030q | ||
10187492 | 147788 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL393267 | 147788 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
25256791 | 187689 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL495202 | 187689 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2010.02.072 | ||
11502371 | 153126 | 3 | None | 22 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL397647 | 153126 | 3 | None | 22 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
11502371 | 153126 | 3 | None | 22 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL397647 | 153126 | 3 | None | 22 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
10154434 | 58787 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 5 | 3.2 | CC(C)Oc1cccc(NC(=O)NC(=O)c2ccc3c(c2)OCO3)c1 | 10.1021/jm1012903 | ||
CHEMBL1687955 | 58787 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 5 | 3.2 | CC(C)Oc1cccc(NC(=O)NC(=O)c2ccc3c(c2)OCO3)c1 | 10.1021/jm1012903 | ||
44413167 | 79717 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211560 | 79717 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
9967878 | 85077 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 3 | 3.9 | Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1F | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224510 | 85077 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 3 | 3.9 | Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1F | 10.1016/j.bmc.2006.09.052 | ||
44421867 | 85155 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 3.7 | c1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cs1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL225166 | 85155 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 3.7 | c1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cs1 | 10.1016/j.bmc.2006.09.052 | ||
44421889 | 85217 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 307 | 4 | 1 | 3 | 3.6 | c1ccc(CN2CCCC(Oc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL225582 | 85217 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 307 | 4 | 1 | 3 | 3.6 | c1ccc(CN2CCCC(Oc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
21098519 | 85228 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 336 | 5 | 2 | 4 | 3.6 | COc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL225637 | 85228 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 336 | 5 | 2 | 4 | 3.6 | COc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
21098523 | 142287 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 320 | 4 | 2 | 3 | 3.9 | Cc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL388516 | 142287 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 320 | 4 | 2 | 3 | 3.9 | Cc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
44421913 | 161882 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 334 | 4 | 2 | 3 | 3.4 | O=C(Nc1ccc2[nH]ncc2c1)C1CCCN(Cc2ccccc2)C1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL415061 | 161882 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 334 | 4 | 2 | 3 | 3.4 | O=C(Nc1ccc2[nH]ncc2c1)C1CCCN(Cc2ccccc2)C1 | 10.1016/j.bmc.2006.09.052 | ||
21098488 | 166265 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL426925 | 166265 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
21098490 | 166323 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL427245 | 166323 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
44421917 | 166325 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL427254 | 166325 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
9840006 | 142024 | 5 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL387625 | 142024 | 5 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
9956238 | 60196 | 1 | None | -79 | 4 | Rat | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688889 | 60196 | 1 | None | -79 | 4 | Rat | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1739922 | 60196 | 1 | None | -79 | 4 | Rat | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
44453002 | 155371 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CCNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL403424 | 155371 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CCNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44421860 | 85046 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 295 | 4 | 3 | 3 | 3.0 | c1c[nH]c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224166 | 85046 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 295 | 4 | 3 | 3 | 3.0 | c1c[nH]c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
9900683 | 141910 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 292 | 4 | 2 | 3 | 3.2 | c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL386937 | 141910 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 292 | 4 | 2 | 3 | 3.2 | c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
10065796 | 142065 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 339 | 4 | 1 | 3 | 4.2 | Fc1cccc(F)c1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL387954 | 142065 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 339 | 4 | 1 | 3 | 4.2 | Fc1cccc(F)c1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
54585109 | 62571 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 468 | 5 | 1 | 5 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782579 | 62571 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 468 | 5 | 1 | 5 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44453234 | 97469 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL270182 | 97469 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
22143196 | 183985 | 0 | None | -3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL481790 | 183985 | 0 | None | -3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
22143196 | 183985 | 0 | None | -3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481790 | 183985 | 0 | None | -3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44416138 | 138872 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL378195 | 138872 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
46927117 | 65426 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829619 | 65426 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
44453405 | 95434 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 469 | 6 | 4 | 5 | 2.6 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1Cl | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257062 | 95434 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 469 | 6 | 4 | 5 | 2.6 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1Cl | 10.1016/j.bmcl.2008.02.015 | ||
44453407 | 95435 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 450 | 7 | 3 | 5 | 2.4 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257063 | 95435 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 450 | 7 | 3 | 5 | 2.4 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
56675205 | 65793 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 6 | 3 | 5 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834788 | 65793 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 6 | 3 | 5 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
56671793 | 65794 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 6 | 2 | 6 | 3.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834789 | 65794 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 6 | 2 | 6 | 3.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
56671795 | 65797 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 478 | 6 | 3 | 6 | 4.0 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834792 | 65797 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 478 | 6 | 3 | 6 | 4.0 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
46884856 | 8342 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 566 | 8 | 2 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092921 | 8342 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 566 | 8 | 2 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
44583280 | 172447 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL447937 | 172447 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
46885159 | 8373 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093153 | 8373 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
46885160 | 8374 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093154 | 8374 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
9974356 | 137589 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL375556 | 137589 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
57396726 | 68953 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 562 | 8 | 3 | 5 | 4.0 | CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922817 | 68953 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 562 | 8 | 3 | 5 | 4.0 | CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | 10.1016/j.bmcl.2011.09.113 | ||
44439163 | 90292 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL238518 | 90292 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
183790 | 3740 | 11 | None | -1 | 5 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2018.05.027 | ||
783 | 3740 | 11 | None | -1 | 5 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL1178786 | 3740 | 11 | None | -1 | 5 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2018.05.027 | ||
11283842 | 73736 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 522 | 13 | 5 | 5 | 4.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018402 | 73736 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 522 | 13 | 5 | 5 | 4.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
11353855 | 74547 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029568 | 74547 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
56643545 | 68958 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922823 | 68958 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
52943756 | 19288 | 0 | None | 23 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290412 | 19288 | 0 | None | 23 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
44453368 | 97765 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 449 | 6 | 4 | 5 | 2.3 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271725 | 97765 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 449 | 6 | 4 | 5 | 2.3 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
56683116 | 65804 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 534 | 7 | 2 | 7 | 5.1 | CC(C)c1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834799 | 65804 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 534 | 7 | 2 | 7 | 5.1 | CC(C)c1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
46884898 | 7715 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1088874 | 7715 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
44453409 | 95437 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257065 | 95437 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
22143146 | 183904 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481202 | 183904 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
10218843 | 172784 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 633 | 11 | 3 | 6 | 5.1 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL451340 | 172784 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 633 | 11 | 3 | 6 | 5.1 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44425641 | 86064 | 0 | None | 5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230832 | 86064 | 0 | None | 5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
10007642 | 19107 | 0 | None | -2 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289203 | 19107 | 0 | None | -2 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
46885028 | 8420 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093470 | 8420 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
24801523 | 97853 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL272168 | 97853 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
57656833 | 75227 | 0 | None | -257 | 4 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036782 | 75227 | 0 | None | -257 | 4 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
122181148 | 121834 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 478 | 6 | 1 | 3 | 5.2 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589843 | 121834 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 478 | 6 | 1 | 3 | 5.2 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
9956238 | 60196 | 1 | None | -95 | 4 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688889 | 60196 | 1 | None | -95 | 4 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1739922 | 60196 | 1 | None | -95 | 4 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
508742 | 95574 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 423 | 6 | 2 | 3 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257702 | 95574 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 423 | 6 | 2 | 3 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
145963552 | 161346 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 4.1 | CC(=O)N1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4125866 | 161346 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 4.1 | CC(=O)N1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
122181146 | 121832 | 0 | None | 14 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 544 | 7 | 1 | 4 | 5.7 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589841 | 121832 | 0 | None | 14 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 544 | 7 | 1 | 4 | 5.7 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
44447435 | 94694 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252815 | 94694 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
44447435 | 94694 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252815 | 94694 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
145962429 | 161567 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 5.4 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCCCC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128975 | 161567 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 5.4 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCCCC1 | 10.1016/j.bmc.2018.05.027 | ||
44453538 | 97928 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272543 | 97928 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
46240482 | 83575 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204259 | 83575 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1021/ml300260s | ||
22143294 | 193424 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL526091 | 193424 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
44580590 | 193569 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL526859 | 193569 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
70683350 | 73724 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 607 | 12 | 5 | 6 | 3.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018390 | 73724 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 607 | 12 | 5 | 6 | 3.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 | 10.1016/j.bmcl.2012.03.007 | ||
44425641 | 86064 | 0 | None | 5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230832 | 86064 | 0 | None | 5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44425288 | 86013 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230507 | 86013 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44425304 | 143365 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL389773 | 143365 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
69035677 | 77647 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 590 | 8 | 1 | 5 | 5.6 | CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088389 | 77647 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 590 | 8 | 1 | 5 | 5.6 | CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
44425288 | 86013 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230507 | 86013 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44425304 | 143365 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL389773 | 143365 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44571218 | 183876 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481009 | 183876 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
57344310 | 68934 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922794 | 68934 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57343820 | 68952 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 518 | 7 | 3 | 3 | 5.2 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922816 | 68952 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 518 | 7 | 3 | 3 | 5.2 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
24801525 | 97607 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL270906 | 97607 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
49763686 | 65422 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 503 | 7 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(C(=O)O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829615 | 65422 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 503 | 7 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(C(=O)O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
57396724 | 68945 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.1 | NC(=O)C(NC1CCC(c2ccccc2)C1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922805 | 68945 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.1 | NC(=O)C(NC1CCC(c2ccccc2)C1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57396725 | 68947 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)C2CC2c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922808 | 68947 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)C2CC2c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44563039 | 192043 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 482 | 5 | 1 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL520228 | 192043 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 482 | 5 | 1 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
11179439 | 73734 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018400 | 73734 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
46947816 | 65431 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829624 | 65431 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44563113 | 174581 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 515 | 5 | 3 | 4 | 5.4 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL455682 | 174581 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 515 | 5 | 3 | 4 | 5.4 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
508877 | 95059 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL255209 | 95059 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
54756045 | 65786 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 510 | 7 | 3 | 8 | 2.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834781 | 65786 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 510 | 7 | 3 | 8 | 2.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
56678507 | 65798 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834793 | 65798 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44447429 | 94641 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252412 | 94641 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
50925394 | 19326 | 0 | None | -2 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290636 | 19326 | 0 | None | -2 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
44447429 | 94641 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252412 | 94641 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44425286 | 153245 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL397750 | 153245 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44425286 | 153245 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL397750 | 153245 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
57344299 | 68954 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922818 | 68954 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
56669631 | 65807 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834851 | 65807 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2011.08.074 | ||
132572938 | 156787 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
CHEMBL4070869 | 156787 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
44439158 | 146825 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 542 | 10 | 1 | 4 | 7.5 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL392493 | 146825 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 542 | 10 | 1 | 4 | 7.5 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.bmcl.2006.10.060 | ||
10272003 | 58877 | 1 | None | -2 | 3 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688888 | 58877 | 1 | None | -2 | 3 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
57403700 | 68943 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 3.0 | NC(=O)C(NC1Cc2ccccc2C1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922803 | 68943 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 3.0 | NC(=O)C(NC1Cc2ccccc2C1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
10427217 | 84995 | 4 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL223815 | 84995 | 4 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
10041590 | 142109 | 4 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL388285 | 142109 | 4 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
54584164 | 62566 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782574 | 62566 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44595711 | 137319 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3752627 | 137319 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
49763568 | 65413 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829605 | 65413 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
11752457 | 74537 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml200199c | ||
CHEMBL2029417 | 74537 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml200199c | ||
54755081 | 65775 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 467 | 7 | 3 | 6 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834719 | 65775 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 467 | 7 | 3 | 6 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
56671794 | 65795 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 516 | 7 | 2 | 7 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834790 | 65795 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 516 | 7 | 2 | 7 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
44425634 | 142016 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL387587 | 142016 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44442599 | 93647 | 0 | None | 31 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246804 | 93647 | 0 | None | 31 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
10291634 | 58875 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 2 | 4 | 3.7 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 | 10.1021/jm1012903 | ||
CHEMBL1688879 | 58875 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 2 | 4 | 3.7 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 | 10.1021/jm1012903 | ||
10154979 | 58876 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 2 | 4 | 3.4 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm1012903 | ||
CHEMBL1688880 | 58876 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 2 | 4 | 3.4 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm1012903 | ||
10064487 | 85015 | 4 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL223907 | 85015 | 4 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
11585168 | 90686 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239143 | 90686 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
57402219 | 71006 | 0 | None | -52 | 2 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
CHEMBL1951766 | 71006 | 0 | None | -52 | 2 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
145961260 | 161429 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 476 | 7 | 1 | 5 | 5.0 | COC1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4127096 | 161429 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 476 | 7 | 1 | 5 | 5.0 | COC1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
52941377 | 19327 | 0 | None | -7 | 2 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290637 | 19327 | 0 | None | -7 | 2 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
57394970 | 68941 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 465 | 7 | 2 | 3 | 4.0 | CC(C)C1CCC(NC(C(N)=O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922800 | 68941 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 465 | 7 | 2 | 3 | 4.0 | CC(C)C1CCC(NC(C(N)=O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44583282 | 172693 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL450231 | 172693 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
53389660 | 171481 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4463626 | 171481 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
53389845 | 172959 | 0 | None | 45 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4517518 | 172959 | 0 | None | 45 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
57344303 | 68929 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922789 | 68929 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44353447 | 3773 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
785 | 3773 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
44425634 | 142016 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL387587 | 142016 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
11192346 | 2022 | 57 | None | -4 | 3 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2022 | 57 | None | -4 | 3 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2022 | 57 | None | -4 | 3 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
44583281 | 188233 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL499467 | 188233 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
49763575 | 65443 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 474 | 6 | 3 | 4 | 3.0 | N[C@]1(c2ccccc2)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829637 | 65443 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 474 | 6 | 3 | 4 | 3.0 | N[C@]1(c2ccccc2)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
24801522 | 161135 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
CHEMBL411726 | 161135 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
46884855 | 8301 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092656 | 8301 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
122181235 | 121848 | 0 | None | 5 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 572 | 7 | 1 | 3 | 6.7 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589949 | 121848 | 0 | None | 5 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 572 | 7 | 1 | 3 | 6.7 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
9923015 | 58874 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 318 | 2 | 2 | 4 | 3.0 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 | 10.1021/jm1012903 | ||
CHEMBL1688878 | 58874 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 318 | 2 | 2 | 4 | 3.0 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 | 10.1021/jm1012903 | ||
11582651 | 75201 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 424 | 5 | 1 | 3 | 4.3 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036754 | 75201 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 424 | 5 | 1 | 3 | 4.3 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
145961759 | 161528 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 566 | 6 | 1 | 5 | 7.1 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC2(CC1)SCc1ccccc12 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128487 | 161528 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 566 | 6 | 1 | 5 | 7.1 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC2(CC1)SCc1ccccc12 | 10.1016/j.bmc.2018.05.027 | ||
57656921 | 75211 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 420 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036764 | 75211 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 420 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
122181152 | 121704 | 0 | None | 25 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 638 | 8 | 1 | 4 | 7.2 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3588870 | 121704 | 0 | None | 25 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 638 | 8 | 1 | 4 | 7.2 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
46241610 | 83568 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 548 | 7 | 3 | 6 | 3.6 | CC(C)(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204252 | 83568 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 548 | 7 | 3 | 6 | 3.6 | CC(C)(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
122181238 | 121851 | 0 | None | 194 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 554 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)C1CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589952 | 121851 | 0 | None | 194 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 554 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)C1CC1 | 10.1016/j.bmc.2015.02.019 | ||
10304021 | 73718 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 594 | 12 | 5 | 6 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018384 | 73718 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 594 | 12 | 5 | 6 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
11504634 | 186034 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 4.6 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL487070 | 186034 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 4.6 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
56678508 | 65799 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834794 | 65799 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44570718 | 183831 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 533 | 9 | 4 | 5 | 3.2 | CC(=O)Nc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480621 | 183831 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 533 | 9 | 4 | 5 | 3.2 | CC(=O)Nc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44580590 | 193569 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL526859 | 193569 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
46944853 | 65428 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829621 | 65428 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 | 10.1016/j.bmcl.2011.06.080 | ||
49763574 | 65442 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 477 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](F)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829636 | 65442 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 477 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](F)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
54755083 | 65742 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 488 | 6 | 3 | 6 | 3.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834636 | 65742 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 488 | 6 | 3 | 6 | 3.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
46885029 | 8247 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092343 | 8247 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
10315045 | 143573 | 5 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL389926 | 143573 | 5 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
122181153 | 121838 | 0 | None | 20 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 558 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589847 | 121838 | 0 | None | 20 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 558 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
44416274 | 158552 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL409162 | 158552 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
10346048 | 78232 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL210606 | 78232 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
145962546 | 161408 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 537 | 8 | 1 | 6 | 3.8 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4126779 | 161408 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 537 | 8 | 1 | 6 | 3.8 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
11553070 | 75198 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036751 | 75198 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
10346048 | 78232 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL210606 | 78232 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
11563451 | 151916 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL396621 | 151916 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
24801690 | 98039 | 25 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL273083 | 98039 | 25 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
70689914 | 74550 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
CHEMBL2029571 | 74550 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
24801690 | 98039 | 25 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
CHEMBL273083 | 98039 | 25 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
44453366 | 158302 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 451 | 6 | 5 | 6 | 1.7 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL408908 | 158302 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 451 | 6 | 5 | 6 | 1.7 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
46885027 | 8419 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093469 | 8419 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
53322810 | 58470 | 0 | None | 2 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1683075 | 58470 | 0 | None | 2 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
54585107 | 62559 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782567 | 62559 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
54580188 | 62565 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782573 | 62565 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
53325639 | 58468 | 0 | None | 1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1683073 | 58468 | 0 | None | 1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
122181147 | 121833 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 464 | 6 | 1 | 3 | 4.8 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589842 | 121833 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 464 | 6 | 1 | 3 | 4.8 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
11670910 | 88620 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL235657 | 88620 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
145961961 | 161494 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.0 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cccc(C(F)(F)F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128015 | 161494 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.0 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cccc(C(F)(F)F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
57656640 | 75209 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 390 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036762 | 75209 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 390 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.118 | ||
44439155 | 91972 | 0 | None | -3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL241497 | 91972 | 0 | None | -3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
46885269 | 7901 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.5 | CC(CN1CCN(C(=O)c2ccccc2)CC1)N1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1090148 | 7901 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.5 | CC(CN1CCN(C(=O)c2ccccc2)CC1)N1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
56643545 | 68958 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922823 | 68958 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57398494 | 68956 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 527 | 8 | 3 | 4 | 4.7 | CN(C)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922820 | 68956 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 527 | 8 | 3 | 4 | 4.7 | CN(C)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | 10.1016/j.bmcl.2011.09.113 | ||
22143104 | 188056 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 7 | 5 | 5 | 2.3 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CNCCC1NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497780 | 188056 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 7 | 5 | 5 | 2.3 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CNCCC1NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
22143294 | 193424 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL526091 | 193424 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
44571257 | 191092 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 9 | 3 | 4 | 4.3 | CC(C)c1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL518772 | 191092 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 9 | 3 | 4 | 4.3 | CC(C)c1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
11192346 | 2022 | 57 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2022 | 57 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2022 | 57 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
56661444 | 65773 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 6 | 3 | 8 | 5.1 | CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834717 | 65773 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 6 | 3 | 8 | 5.1 | CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44425637 | 85985 | 0 | None | 3 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230405 | 85985 | 0 | None | 3 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44425637 | 85985 | 0 | None | 3 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230405 | 85985 | 0 | None | 3 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44425629 | 86024 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230616 | 86024 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44442593 | 147198 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL392814 | 147198 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
57344218 | 68946 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 484 | 7 | 3 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922806 | 68946 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 484 | 7 | 3 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44563038 | 186037 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 554 | 7 | 1 | 5 | 5.0 | CCOC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL487074 | 186037 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 554 | 7 | 1 | 5 | 5.0 | CCOC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
21098512 | 85087 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 3.5 | O=[N+]([O-])c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224594 | 85087 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 3.5 | O=[N+]([O-])c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
21098530 | 143557 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 3.5 | O=[N+]([O-])c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL389915 | 143557 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 3.5 | O=[N+]([O-])c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
44447426 | 94607 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CCC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252208 | 94607 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CCC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
145961667 | 161352 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 4.2 | CN1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4126007 | 161352 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 4.2 | CN1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
44447426 | 94607 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CCC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252208 | 94607 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CCC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
145963369 | 161384 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 6.8 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC(c2ccccc2)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4126360 | 161384 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 6.8 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC(c2ccccc2)CC1 | 10.1016/j.bmc.2018.05.027 | ||
11548199 | 89920 | 0 | None | 707 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL237967 | 89920 | 0 | None | 707 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
22143255 | 187856 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496343 | 187856 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
22143155 | 188060 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497788 | 188060 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
44593555 | 188782 | 0 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL505722 | 188782 | 0 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44570714 | 189792 | 0 | None | 9 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 565 | 9 | 5 | 6 | 3.6 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL516224 | 189792 | 0 | None | 9 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 565 | 9 | 5 | 6 | 3.6 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
9850318 | 95243 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL256154 | 95243 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
10392978 | 167457 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 558 | 6 | 2 | 5 | 5.3 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL429849 | 167457 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 558 | 6 | 2 | 5 | 5.3 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
54754968 | 65740 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 502 | 7 | 3 | 6 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834634 | 65740 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 502 | 7 | 3 | 6 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
44425647 | 86099 | 0 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231039 | 86099 | 0 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44423283 | 85305 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
CHEMBL226065 | 85305 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
44583283 | 188284 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 714 | 11 | 3 | 8 | 6.0 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL500175 | 188284 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 714 | 11 | 3 | 8 | 6.0 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
127026243 | 138267 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 456 | 3 | 2 | 6 | 2.5 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770591 | 138267 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 456 | 3 | 2 | 6 | 2.5 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
53321616 | 58458 | 0 | None | 5 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683063 | 58458 | 0 | None | 5 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
11433008 | 77635 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 8 | 2 | 5 | 4.9 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088378 | 77635 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 8 | 2 | 5 | 4.9 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
10289827 | 187974 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL497202 | 187974 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
25110716 | 155204 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
CHEMBL402532 | 155204 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
53318853 | 58454 | 0 | None | 27 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683059 | 58454 | 0 | None | 27 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
11597 | 673 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
23725180 | 673 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
CHEMBL4781426 | 673 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
11387511 | 74539 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ccncc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029419 | 74539 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ccncc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
44453441 | 97687 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 498 | 6 | 3 | 4 | 3.2 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271289 | 97687 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 498 | 6 | 3 | 4 | 3.2 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
46885213 | 8458 | 0 | None | 52 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093802 | 8458 | 0 | None | 52 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
57391767 | 71017 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 534 | 8 | 3 | 6 | 3.3 | CCOc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
CHEMBL1951779 | 71017 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 534 | 8 | 3 | 6 | 3.3 | CCOc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
127029034 | 138213 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 440 | 3 | 2 | 6 | 1.9 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(F)s3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770008 | 138213 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 440 | 3 | 2 | 6 | 1.9 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(F)s3)CC2)C1 | 10.1039/C5MD00362H | ||
11192346 | 2022 | 57 | None | -1 | 3 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2022 | 57 | None | -1 | 3 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2022 | 57 | None | -1 | 3 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
10300284 | 73730 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018396 | 73730 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
57396998 | 71012 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951773 | 71012 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml200030q | ||
54755919 | 65757 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 516 | 6 | 2 | 7 | 4.5 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834651 | 65757 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 516 | 6 | 2 | 7 | 4.5 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
54755801 | 65758 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 559 | 8 | 3 | 8 | 3.7 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834652 | 65758 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 559 | 8 | 3 | 8 | 3.7 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
56659295 | 65808 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 503 | 7 | 2 | 7 | 4.2 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834852 | 65808 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 503 | 7 | 2 | 7 | 4.2 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
44425629 | 86024 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230616 | 86024 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
9956238 | 60196 | 1 | None | 3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688889 | 60196 | 1 | None | 3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1739922 | 60196 | 1 | None | 3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
57656833 | 75227 | 0 | None | -42 | 4 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036782 | 75227 | 0 | None | -42 | 4 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44421923 | 85080 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224535 | 85080 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
9857714 | 85129 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.6 | c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224885 | 85129 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.6 | c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
44421855 | 85112 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 307 | 4 | 2 | 4 | 3.0 | c1cncc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224746 | 85112 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 307 | 4 | 2 | 4 | 3.0 | c1cncc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
11723420 | 136549 | 5 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL373759 | 136549 | 5 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
57656887 | 75210 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036763 | 75210 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
44447427 | 154845 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)C(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL400516 | 154845 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)C(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
44447427 | 154845 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)C(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL400516 | 154845 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)C(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
11570431 | 91980 | 0 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL241502 | 91980 | 0 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
22143346 | 172649 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL449672 | 172649 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
10175423 | 188444 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 10 | 4 | 6 | 4.4 | CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502515 | 188444 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 10 | 4 | 6 | 4.4 | CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
10312346 | 188460 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502795 | 188460 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
10152864 | 187872 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL496432 | 187872 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
49763931 | 65424 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 499 | 6 | 3 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4[nH]cnc4c3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829617 | 65424 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 499 | 6 | 3 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4[nH]cnc4c3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44453330 | 95500 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 6 | 2 | 3 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257316 | 95500 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 6 | 2 | 3 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44453300 | 97434 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 451 | 7 | 2 | 4 | 3.5 | CSc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL270005 | 97434 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 451 | 7 | 2 | 4 | 3.5 | CSc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44416274 | 158552 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL409162 | 158552 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
24801523 | 97853 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL272168 | 97853 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
10458152 | 77799 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL209267 | 77799 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
10458152 | 77799 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL209267 | 77799 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
49764446 | 65438 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 7 | 3 | 5 | 3.1 | CN(C)c1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829631 | 65438 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 7 | 3 | 5 | 3.1 | CN(C)c1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
44453474 | 97869 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 512 | 6 | 3 | 4 | 2.6 | Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272284 | 97869 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 512 | 6 | 3 | 4 | 2.6 | Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
56659196 | 65801 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 522 | 8 | 3 | 8 | 3.4 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834796 | 65801 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 522 | 8 | 3 | 8 | 3.4 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
22143258 | 183877 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481010 | 183877 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
57656942 | 75037 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2035000 | 75037 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
57403699 | 68935 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cnccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922795 | 68935 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cnccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44453004 | 95262 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | CC(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL256256 | 95262 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | CC(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
10471319 | 84801 | 5 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 4.1 | Fc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL223336 | 84801 | 5 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 4.1 | Fc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
44439169 | 90772 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239170 | 90772 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
44447446 | 154877 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL400724 | 154877 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44447424 | 94606 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | CC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252206 | 94606 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | CC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
44447446 | 154877 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL400724 | 154877 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
11306757 | 73735 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 508 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018401 | 73735 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 508 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
11489078 | 73803 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018530 | 73803 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
44570781 | 192563 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL521275 | 192563 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
46830335 | 8213 | 8 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092238 | 8213 | 8 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
46842383 | 8343 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092929 | 8343 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
70689915 | 74551 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
CHEMBL2029572 | 74551 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
44453472 | 155536 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404259 | 155536 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
54586021 | 62541 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782375 | 62541 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
57396723 | 68944 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 3.5 | NC(=O)C(NC1CCc2ccccc21)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922804 | 68944 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 3.5 | NC(=O)C(NC1CCc2ccccc21)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
10360623 | 85204 | 5 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 351 | 4 | 1 | 3 | 5.0 | Clc1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL225492 | 85204 | 5 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 351 | 4 | 1 | 3 | 5.0 | Clc1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
44447424 | 94606 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | CC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252206 | 94606 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | CC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
44583280 | 172447 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL447937 | 172447 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
10281316 | 73720 | 0 | None | -2 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018386 | 73720 | 0 | None | -2 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
44453327 | 95093 | 25 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL255408 | 95093 | 25 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
10162782 | 73704 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018370 | 73704 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
44442590 | 93770 | 0 | None | 169 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247455 | 93770 | 0 | None | 169 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
49763804 | 65423 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(N4CCCC4)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829616 | 65423 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(N4CCCC4)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
11510932 | 75200 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 460 | 5 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036753 | 75200 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 460 | 5 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
145962732 | 161355 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 554 | 8 | 0 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Oc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4126032 | 161355 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 554 | 8 | 0 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Oc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
44580591 | 187857 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496344 | 187857 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
49763682 | 65419 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 4.0 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829612 | 65419 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 4.0 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
44447432 | 154846 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL400517 | 154846 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44447432 | 154846 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL400517 | 154846 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
50991056 | 62564 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782572 | 62564 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
57394966 | 68925 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 495 | 6 | 2 | 2 | 6.2 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CNC2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922785 | 68925 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 495 | 6 | 2 | 2 | 6.2 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CNC2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
145953092 | 161336 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 539 | 8 | 1 | 6 | 3.9 | CN(C1CCN(CCCN2CCc3cnc(Nc4ccc(Cl)c(Cl)c4)cc3C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4125768 | 161336 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 539 | 8 | 1 | 6 | 3.9 | CN(C1CCN(CCCN2CCc3cnc(Nc4ccc(Cl)c(Cl)c4)cc3C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
22143309 | 187939 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496959 | 187939 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
10111333 | 175465 | 0 | None | 19 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4577133 | 175465 | 0 | None | 19 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
10142792 | 93739 | 0 | None | 26 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247245 | 93739 | 0 | None | 26 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
57656869 | 75219 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 412 | 4 | 1 | 4 | 3.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036774 | 75219 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 412 | 4 | 1 | 4 | 3.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
52943756 | 19288 | 0 | None | -23 | 2 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290412 | 19288 | 0 | None | -23 | 2 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
49764196 | 65440 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 519 | 6 | 3 | 6 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829633 | 65440 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 519 | 6 | 3 | 6 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44570717 | 183830 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 544 | 8 | 3 | 4 | 4.2 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480620 | 183830 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 544 | 8 | 3 | 4 | 4.2 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
56676474 | 65810 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834854 | 65810 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
183790 | 3740 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00347-4 | ||
783 | 3740 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL1178786 | 3740 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00347-4 | ||
44425309 | 142355 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL388867 | 142355 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
183790 | 3740 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm010468s | ||
783 | 3740 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm010468s | ||
CHEMBL1178786 | 3740 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm010468s | ||
183790 | 3740 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3740 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3740 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
22143334 | 187806 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL495924 | 187806 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
57344297 | 68951 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922815 | 68951 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
11711078 | 75218 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 400 | 4 | 1 | 4 | 2.9 | CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036773 | 75218 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 400 | 4 | 1 | 4 | 2.9 | CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
46240584 | 83578 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 532 | 6 | 3 | 6 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nc4ccccc4s3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204262 | 83578 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 532 | 6 | 3 | 6 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nc4ccccc4s3)CC2)C1 | 10.1021/ml300260s | ||
46944854 | 65427 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cnccc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829620 | 65427 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cnccc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
54756156 | 65783 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 507 | 9 | 2 | 7 | 3.6 | C=CCn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)OCC)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834779 | 65783 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 507 | 9 | 2 | 7 | 3.6 | C=CCn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)OCC)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44447431 | 94669 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252611 | 94669 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44425642 | 142344 | 0 | None | 12 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL388675 | 142344 | 0 | None | 12 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44447431 | 94669 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252611 | 94669 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44425642 | 142344 | 0 | None | 12 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL388675 | 142344 | 0 | None | 12 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
11678573 | 90637 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL238936 | 90637 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
57656713 | 75203 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 488 | 7 | 1 | 3 | 5.5 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036756 | 75203 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 488 | 7 | 1 | 3 | 5.5 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
44447433 | 94692 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252813 | 94692 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
44447433 | 94692 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252813 | 94692 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
22143293 | 188025 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497577 | 188025 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
44447434 | 94693 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252814 | 94693 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
44453535 | 155172 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL402322 | 155172 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44447434 | 94693 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252814 | 94693 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
155521447 | 170582 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4450561 | 170582 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
11227168 | 74548 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029569 | 74548 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
46884818 | 7869 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089881 | 7869 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
145963669 | 161557 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cc(Cl)cc(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128832 | 161557 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cc(Cl)cc(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
44416157 | 80593 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215020 | 80593 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
22143309 | 187939 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496959 | 187939 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
22143112 | 188443 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL502513 | 188443 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
57395219 | 71009 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951770 | 71009 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1 | 10.1021/ml200030q | ||
11756884 | 19087 | 0 | None | 25 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289083 | 19087 | 0 | None | 25 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
54754969 | 65738 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 515 | 6 | 3 | 6 | 4.2 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834632 | 65738 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 515 | 6 | 3 | 6 | 4.2 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
44425645 | 86080 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230933 | 86080 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44453442 | 97688 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 434 | 6 | 3 | 4 | 2.7 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271290 | 97688 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 434 | 6 | 3 | 4 | 2.7 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44425645 | 86080 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230933 | 86080 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
57395217 | 71007 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccccn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951768 | 71007 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccccn3)CC2)C1 | 10.1021/ml200030q | ||
50992246 | 58469 | 2 | None | -1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1683074 | 58469 | 2 | None | -1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
50992246 | 58469 | 2 | None | -1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683074 | 58469 | 2 | None | -1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
44593561 | 12661 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL1187238 | 12661 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494580 | 12661 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
11192346 | 2022 | 57 | None | 1 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2022 | 57 | None | 1 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2022 | 57 | None | 1 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
67011331 | 74543 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029424 | 74543 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
44425653 | 86227 | 0 | None | 4 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL231246 | 86227 | 0 | None | 4 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44425290 | 153529 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL397997 | 153529 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
11627639 | 94931 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL254355 | 94931 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
44425653 | 86227 | 0 | None | 4 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL231246 | 86227 | 0 | None | 4 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44425290 | 153529 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL397997 | 153529 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44453472 | 155536 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404259 | 155536 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
24801689 | 97792 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
CHEMBL271828 | 97792 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
46830336 | 7848 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089793 | 7848 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
11421712 | 74541 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029421 | 74541 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
10008367 | 2020 | 50 | None | 2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
777 | 2020 | 50 | None | 2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289316 | 2020 | 50 | None | 2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL2426341 | 2020 | 50 | None | 2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
44425647 | 86099 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL231039 | 86099 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
57395218 | 71008 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951769 | 71008 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 | 10.1021/ml200030q | ||
11192346 | 2022 | 57 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2022 | 57 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2022 | 57 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
50992246 | 58469 | 2 | None | -1 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1683074 | 58469 | 2 | None | -1 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
508869 | 95438 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 446 | 7 | 3 | 4 | 3.1 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257066 | 95438 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 446 | 7 | 3 | 4 | 3.1 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44425647 | 86099 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL231039 | 86099 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44425643 | 86040 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230722 | 86040 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
46241717 | 83565 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 520 | 8 | 3 | 6 | 2.9 | CCOc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204249 | 83565 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 520 | 8 | 3 | 6 | 2.9 | CCOc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
46208367 | 83579 | 13 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204263 | 83579 | 13 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
24801522 | 161135 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
CHEMBL411726 | 161135 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
56657929 | 65790 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 485 | 6 | 2 | 5 | 4.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834785 | 65790 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 485 | 6 | 2 | 5 | 4.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
46842383 | 8343 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092929 | 8343 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
44425308 | 153704 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL398150 | 153704 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
10111333 | 175465 | 0 | None | 19 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4577133 | 175465 | 0 | None | 19 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
44425308 | 153704 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL398150 | 153704 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
54585107 | 62559 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782567 | 62559 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44353447 | 3773 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
785 | 3773 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
137654404 | 158567 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C(=O)N(CC(C)C)CC(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)=C3)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
CHEMBL4091736 | 158567 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C(=O)N(CC(C)C)CC(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)=C3)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
44421922 | 144548 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL390736 | 144548 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
9836178 | 85075 | 2 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.6 | c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)CC2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224500 | 85075 | 2 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.6 | c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)CC2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
10245340 | 168935 | 5 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL438783 | 168935 | 5 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
67011331 | 74543 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029424 | 74543 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
57656657 | 75207 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036760 | 75207 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
56671792 | 65792 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 472 | 6 | 3 | 5 | 3.9 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834787 | 65792 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 472 | 6 | 3 | 5 | 3.9 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
162666730 | 182272 | 1 | None | 562 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182272 | 1 | None | 562 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
122181149 | 121835 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 494 | 7 | 1 | 4 | 4.8 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589844 | 121835 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 494 | 7 | 1 | 4 | 4.8 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
11534473 | 90697 | 0 | None | 117 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239144 | 90697 | 0 | None | 117 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | ||
10117480 | 73714 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018380 | 73714 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
70688149 | 75222 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 413 | 4 | 2 | 4 | 2.8 | CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036777 | 75222 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 413 | 4 | 2 | 4 | 2.8 | CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44296219 | 101312 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 4 | 1 | 5 | 5.2 | Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccc(F)cc4)oc3C)CC1)OC(=O)N2 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL296609 | 101312 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 4 | 1 | 5 | 5.2 | Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccc(F)cc4)oc3C)CC1)OC(=O)N2 | 10.1016/s0960-894x(00)00347-4 | ||
44442598 | 154385 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL398747 | 154385 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
71452241 | 83566 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 574 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OCC(F)(F)F)nc3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204250 | 83566 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 574 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OCC(F)(F)F)nc3)CC2)C1 | 10.1021/ml300260s | ||
10120067 | 73727 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 550 | 12 | 5 | 5 | 4.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018393 | 73727 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 550 | 12 | 5 | 5 | 4.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
70689914 | 74550 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
CHEMBL2029571 | 74550 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
70689915 | 74551 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
CHEMBL2029572 | 74551 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
162666730 | 182272 | 1 | None | 562 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182272 | 1 | None | 562 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
56659197 | 65802 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 506 | 6 | 2 | 7 | 4.3 | Cc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834797 | 65802 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 506 | 6 | 2 | 7 | 4.3 | Cc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
22725647 | 173697 | 0 | None | 52 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4535696 | 173697 | 0 | None | 52 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
155521447 | 170582 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4450561 | 170582 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
145954949 | 161642 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 539 | 8 | 2 | 6 | 3.9 | CS(=O)(=O)NC1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4130191 | 161642 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 539 | 8 | 2 | 6 | 3.9 | CS(=O)(=O)NC1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
10129343 | 173263 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL452509 | 173263 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
56668309 | 65774 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 558 | 6 | 3 | 8 | 3.6 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834718 | 65774 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 558 | 6 | 3 | 8 | 3.6 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
54756038 | 65776 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 468 | 7 | 2 | 7 | 3.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3noc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834720 | 65776 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 468 | 7 | 2 | 7 | 3.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3noc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
49763571 | 65416 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 459 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829609 | 65416 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 459 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
46945254 | 65433 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1cccnc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829626 | 65433 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1cccnc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
57344305 | 68937 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922797 | 68937 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44453373 | 97809 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271935 | 97809 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
54755079 | 65739 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 528 | 8 | 4 | 5 | 3.5 | NC(=O)Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cc1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834633 | 65739 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 528 | 8 | 4 | 5 | 3.5 | NC(=O)Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cc1 | 10.1016/j.bmcl.2011.08.074 | ||
3547 | 141371 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL38380 | 141371 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL541388 | 141371 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.09.052 | ||
3547 | 141371 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL38380 | 141371 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL541388 | 141371 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.10.028 | ||
122181236 | 121849 | 0 | None | 13 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 588 | 8 | 1 | 4 | 6.3 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589950 | 121849 | 0 | None | 13 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 588 | 8 | 1 | 4 | 6.3 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
11319072 | 74540 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cncnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029420 | 74540 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cncnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
57344296 | 68949 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922813 | 68949 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
23630215 | 62542 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782376 | 62542 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44453134 | 98062 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL273195 | 98062 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
67220645 | 75228 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 399 | 2 | 2 | 4 | 1.6 | CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036783 | 75228 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 399 | 2 | 2 | 4 | 1.6 | CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44453298 | 155237 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL402723 | 155237 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44442599 | 93647 | 0 | None | 31 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246804 | 93647 | 0 | None | 31 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
11353843 | 74545 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029566 | 74545 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
56683121 | 65809 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834853 | 65809 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
10196988 | 169463 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 628 | 10 | 4 | 6 | 4.8 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL442929 | 169463 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 628 | 10 | 4 | 6 | 4.8 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
57401954 | 68957 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922822 | 68957 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57656854 | 75226 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 425 | 3 | 2 | 4 | 2.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036781 | 75226 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 425 | 3 | 2 | 4 | 2.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
22143255 | 187856 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496343 | 187856 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
10323427 | 79758 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211775 | 79758 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
145953765 | 161523 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 537 | 8 | 1 | 7 | 4.2 | CN(C1CCN(CCCn2ccc3c(Nc4ccc(Cl)c(Cl)c4)nccc3c2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128372 | 161523 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 537 | 8 | 1 | 7 | 4.2 | CN(C1CCN(CCCn2ccc3c(Nc4ccc(Cl)c(Cl)c4)nccc3c2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
44442587 | 93807 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247608 | 93807 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
10323427 | 79758 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211775 | 79758 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
10129343 | 173263 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL452509 | 173263 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
145962575 | 161466 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 567 | 9 | 1 | 6 | 4.7 | CCS(=O)(=O)N(C)C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4127580 | 161466 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 567 | 9 | 1 | 6 | 4.7 | CCS(=O)(=O)N(C)C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
10268598 | 58873 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 334 | 2 | 3 | 5 | 2.7 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(O)c(Cl)c1 | 10.1021/jm1012903 | ||
CHEMBL1688877 | 58873 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 334 | 2 | 3 | 5 | 2.7 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(O)c(Cl)c1 | 10.1021/jm1012903 | ||
10436083 | 79875 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL212306 | 79875 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
44415880 | 169337 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL441856 | 169337 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
46241010 | 83582 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 540 | 8 | 3 | 7 | 3.3 | CC(C)Oc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204266 | 83582 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 540 | 8 | 3 | 7 | 3.3 | CC(C)Oc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
56643545 | 68958 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922823 | 68958 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
10281316 | 73720 | 0 | None | 2 | 3 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018386 | 73720 | 0 | None | 2 | 3 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
25154827 | 174582 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 4.3 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL455683 | 174582 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 4.3 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
56657930 | 65791 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 528 | 7 | 2 | 6 | 4.6 | CN(C)c1cccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)c1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834786 | 65791 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 528 | 7 | 2 | 6 | 4.6 | CN(C)c1cccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)c1 | 10.1016/j.bmcl.2011.08.074 | ||
44425643 | 86040 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230722 | 86040 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
10120907 | 73722 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 12 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018388 | 73722 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 12 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 | 10.1016/j.bmcl.2012.03.007 | ||
11227168 | 74548 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029569 | 74548 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
11527661 | 2019 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
9045 | 2019 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
CHEMBL1963131 | 2019 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
11527661 | 2019 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9045 | 2019 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL1963131 | 2019 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
22143346 | 172649 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL449672 | 172649 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
11753466 | 77638 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 575 | 8 | 2 | 6 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088380 | 77638 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 575 | 8 | 2 | 6 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
51039119 | 176215 | 33 | None | -1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
CHEMBL4594419 | 176215 | 33 | None | -1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
24801526 | 97614 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
CHEMBL270959 | 97614 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
11330837 | 74549 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029570 | 74549 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
56671925 | 65747 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 481 | 7 | 2 | 7 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834640 | 65747 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 481 | 7 | 2 | 7 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
22725647 | 173697 | 0 | None | 52 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4535696 | 173697 | 0 | None | 52 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
54582215 | 62558 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782566 | 62558 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
10436083 | 79875 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL212306 | 79875 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
9858433 | 85076 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 324 | 4 | 2 | 3 | 3.8 | Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224509 | 85076 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 324 | 4 | 2 | 3 | 3.8 | Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
127025091 | 138208 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 424 | 3 | 2 | 7 | 1.2 | COc1sc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)nc1C | 10.1039/C5MD00362H | ||
CHEMBL3769934 | 138208 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 424 | 3 | 2 | 7 | 1.2 | COc1sc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)nc1C | 10.1039/C5MD00362H | ||
22143305 | 183610 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480228 | 183610 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44425306 | 142367 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL388949 | 142367 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44453592 | 160053 | 24 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 405 | 6 | 2 | 3 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL410829 | 160053 | 24 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 405 | 6 | 2 | 3 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44453565 | 169005 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL439252 | 169005 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
49764447 | 65420 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 6 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829613 | 65420 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 6 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
24801525 | 97607 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL270906 | 97607 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
11598084 | 75202 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 474 | 6 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036755 | 75202 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 474 | 6 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
57656641 | 75220 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 3.3 | CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036775 | 75220 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 3.3 | CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44425306 | 142367 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL388949 | 142367 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
57656749 | 75208 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036761 | 75208 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
44413147 | 139711 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL379818 | 139711 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
44413147 | 139711 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL379818 | 139711 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
46241718 | 83569 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 546 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OC4CCC4)nc3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204253 | 83569 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 546 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OC4CCC4)nc3)CC2)C1 | 10.1021/ml300260s | ||
44453471 | 97868 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 470 | 7 | 3 | 5 | 2.9 | Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272283 | 97868 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 470 | 7 | 3 | 5 | 2.9 | Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44453562 | 155652 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 431 | 7 | 3 | 6 | 2.0 | Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404837 | 155652 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 431 | 7 | 3 | 6 | 2.0 | Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
10312346 | 188460 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502795 | 188460 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
54581190 | 62560 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782568 | 62560 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
70696470 | 75216 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036769 | 75216 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
46241608 | 83567 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 8 | 3 | 6 | 3.2 | CC(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204251 | 83567 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 8 | 3 | 6 | 3.2 | CC(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
11756884 | 19087 | 0 | None | -25 | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289083 | 19087 | 0 | None | -25 | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
508729 | 95533 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 416 | 7 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257510 | 95533 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 416 | 7 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
145963612 | 161437 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 448 | 6 | 1 | 5 | 4.2 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCOCC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4127249 | 161437 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 448 | 6 | 1 | 5 | 4.2 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCOCC1 | 10.1016/j.bmc.2018.05.027 | ||
54582216 | 62563 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 500 | 6 | 1 | 8 | 2.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782571 | 62563 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 500 | 6 | 1 | 8 | 2.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
54583186 | 62570 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 496 | 6 | 1 | 5 | 4.3 | CCC1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782578 | 62570 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 496 | 6 | 1 | 5 | 4.3 | CCC1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
122181151 | 121837 | 0 | None | 7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 622 | 7 | 1 | 3 | 7.6 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589846 | 121837 | 0 | None | 7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 622 | 7 | 1 | 3 | 7.6 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
54754722 | 65750 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834643 | 65750 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44453171 | 95735 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 449 | 6 | 2 | 3 | 3.2 | O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL258364 | 95735 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 449 | 6 | 2 | 3 | 3.2 | O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
57344221 | 68955 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 568 | 8 | 3 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922819 | 68955 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 568 | 8 | 3 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
145955877 | 161402 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 503 | 8 | 1 | 6 | 3.1 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cccc(F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4126634 | 161402 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 503 | 8 | 1 | 6 | 3.1 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cccc(F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
22143334 | 187806 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL495924 | 187806 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
10209478 | 73719 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 551 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018385 | 73719 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 551 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC | 10.1016/j.bmcl.2012.03.007 | ||
11591776 | 145484 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL391459 | 145484 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
10239991 | 188445 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502516 | 188445 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44593555 | 188782 | 0 | None | 2 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL505722 | 188782 | 0 | None | 2 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44453408 | 95436 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 436 | 6 | 4 | 5 | 2.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257064 | 95436 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 436 | 6 | 4 | 5 | 2.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44573608 | 187549 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494540 | 187549 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
10167417 | 73723 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 591 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018389 | 73723 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 591 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 | 10.1016/j.bmcl.2012.03.007 | ||
44453440 | 97686 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271288 | 97686 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44425293 | 153462 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL397948 | 153462 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
22143155 | 188060 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497788 | 188060 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
11330529 | 74538 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cccnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029418 | 74538 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cccnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
22143146 | 183904 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481202 | 183904 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44453298 | 155237 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL402723 | 155237 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
57396999 | 71016 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
CHEMBL1951777 | 71016 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
11192943 | 77622 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 628 | 8 | 2 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088212 | 77622 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 628 | 8 | 2 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
53322809 | 58455 | 0 | None | 13 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683060 | 58455 | 0 | None | 13 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
57391765 | 71013 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951774 | 71013 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnn3)CC2)C1 | 10.1021/ml200030q | ||
69035439 | 77646 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 576 | 7 | 1 | 5 | 5.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088388 | 77646 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 576 | 7 | 1 | 5 | 5.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
57656833 | 75227 | 0 | None | 4 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036782 | 75227 | 0 | None | 4 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
10323427 | 79758 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL211775 | 79758 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
57400160 | 68923 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 539 | 7 | 3 | 3 | 5.6 | O=C(O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922783 | 68923 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 539 | 7 | 3 | 3 | 5.6 | O=C(O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
54584109 | 62545 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782379 | 62545 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44421868 | 85156 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 296 | 4 | 2 | 4 | 3.2 | c1coc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL225167 | 85156 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 296 | 4 | 2 | 4 | 3.2 | c1coc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
21098480 | 144141 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL390389 | 144141 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
145962604 | 161525 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 541 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(C(C)(C)C)cc3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128399 | 161525 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 541 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(C(C)(C)C)cc3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
11180383 | 77621 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 550 | 8 | 2 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088211 | 77621 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 550 | 8 | 2 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
22143200 | 187763 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 480 | 8 | 4 | 5 | 2.8 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL495718 | 187763 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 480 | 8 | 4 | 5 | 2.8 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
44442586 | 93809 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247621 | 93809 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
10164316 | 154790 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL400196 | 154790 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
56667036 | 65425 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 460 | 6 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829618 | 65425 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 460 | 6 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
56677288 | 65441 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 517 | 6 | 3 | 5 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCC4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829634 | 65441 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 517 | 6 | 3 | 5 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCC4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
11409228 | 74532 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029412 | 74532 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
46842084 | 7913 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccccc1C(=O)N1CCC(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1090206 | 7913 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccccc1C(=O)N1CCC(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
57396722 | 68942 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 536 | 4 | 3 | 3 | 5.0 | O=C1NC2(CCC(c3c[nH]c4ccccc34)CC2)NC1C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922801 | 68942 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 536 | 4 | 3 | 3 | 5.0 | O=C1NC2(CCC(c3c[nH]c4ccccc34)CC2)NC1C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
11721085 | 166857 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL428559 | 166857 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
44353447 | 3773 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
785 | 3773 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
46927116 | 65435 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 475 | 6 | 3 | 4 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829628 | 65435 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 475 | 6 | 3 | 4 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
57656871 | 75225 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 413 | 3 | 2 | 4 | 2.0 | CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036780 | 75225 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 413 | 3 | 2 | 4 | 2.0 | CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
145962608 | 161531 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 486 | 8 | 1 | 7 | 2.4 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccccn3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128514 | 161531 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 486 | 8 | 1 | 7 | 2.4 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccccn3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
46241509 | 83560 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204244 | 83560 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
44423283 | 85305 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
CHEMBL226065 | 85305 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
44442587 | 93807 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247608 | 93807 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
46944855 | 65432 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccncc3O)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829625 | 65432 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccncc3O)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44416273 | 138939 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL378449 | 138939 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
44416273 | 138939 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL378449 | 138939 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
57656938 | 75213 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036766 | 75213 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
44442590 | 93770 | 0 | None | 169 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247455 | 93770 | 0 | None | 169 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44442593 | 147198 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL392814 | 147198 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
11647276 | 75205 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 412 | 4 | 1 | 3 | 4.3 | CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036758 | 75205 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 412 | 4 | 1 | 3 | 4.3 | CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
70681778 | 75215 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)c1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036768 | 75215 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)c1 | 10.1016/j.bmcl.2012.04.118 | ||
11690139 | 75223 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 412 | 3 | 1 | 3 | 3.4 | CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036778 | 75223 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 412 | 3 | 1 | 3 | 3.4 | CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
57656719 | 75214 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036767 | 75214 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
56643545 | 68958 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922823 | 68958 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44580591 | 187857 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496344 | 187857 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
44571218 | 183876 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481009 | 183876 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
22143258 | 183877 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481010 | 183877 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
11584094 | 188930 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 4.3 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL508015 | 188930 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 4.3 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
11613399 | 188943 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 5.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL508073 | 188943 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 5.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
11527661 | 2019 | 30 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
9045 | 2019 | 30 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
CHEMBL1963131 | 2019 | 30 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
11353843 | 74545 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029566 | 74545 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
44453329 | 155349 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 431 | 7 | 2 | 3 | 3.5 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL403281 | 155349 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 431 | 7 | 2 | 3 | 3.5 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
53325639 | 58468 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683073 | 58468 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
54583111 | 62543 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 512 | 6 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782377 | 62543 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 512 | 6 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44583281 | 188233 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL499467 | 188233 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
11421712 | 74541 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029421 | 74541 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
50925394 | 19326 | 0 | None | 2 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290636 | 19326 | 0 | None | 2 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
53324304 | 58462 | 0 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683067 | 58462 | 0 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
46240484 | 83577 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 496 | 6 | 3 | 6 | 2.8 | Cc1cnc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204261 | 83577 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 496 | 6 | 3 | 6 | 2.8 | Cc1cnc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
57394969 | 68938 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 499 | 7 | 2 | 3 | 4.5 | NC(=O)C(NC1CCC(c2ccccc2)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922798 | 68938 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 499 | 7 | 2 | 3 | 4.5 | NC(=O)C(NC1CCC(c2ccccc2)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44421888 | 85191 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 307 | 4 | 1 | 3 | 3.6 | c1ccc(CN2CCC(Oc3ccc4[nH]ncc4c3)CC2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL225434 | 85191 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 307 | 4 | 1 | 3 | 3.6 | c1ccc(CN2CCC(Oc3ccc4[nH]ncc4c3)CC2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
44421862 | 136378 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 3.7 | c1csc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL373512 | 136378 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 3.7 | c1csc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
145961982 | 161530 | 0 | None | 10 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128498 | 161530 | 0 | None | 10 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
122181237 | 121850 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 574 | 7 | 2 | 4 | 6.0 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1cc(O)ccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589951 | 121850 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 574 | 7 | 2 | 4 | 6.0 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1cc(O)ccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
46842232 | 7880 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089965 | 7880 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
11567495 | 75197 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036750 | 75197 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
24801526 | 97614 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
CHEMBL270959 | 97614 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
145953762 | 161432 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 539 | 8 | 1 | 6 | 3.9 | CN(C1CCN(CCCN2CCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4127135 | 161432 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 539 | 8 | 1 | 6 | 3.9 | CN(C1CCN(CCCN2CCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
10240278 | 172895 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 654 | 10 | 4 | 6 | 5.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL451597 | 172895 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 654 | 10 | 4 | 6 | 5.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
57344298 | 68950 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922814 | 68950 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44453409 | 95437 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257065 | 95437 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
57656715 | 75204 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 4.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036757 | 75204 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 4.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
57344315 | 68939 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 3.9 | COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922799 | 68939 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 3.9 | COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 | 10.1016/j.bmcl.2011.09.113 | ||
44447436 | 154690 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL399717 | 154690 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
44447436 | 154690 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL399717 | 154690 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
46240785 | 83580 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 510 | 7 | 3 | 6 | 3.1 | CCc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204264 | 83580 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 510 | 7 | 3 | 6 | 3.1 | CCc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
23630215 | 62542 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782376 | 62542 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
54754724 | 65752 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 479 | 9 | 2 | 6 | 3.6 | C=CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834645 | 65752 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 479 | 9 | 2 | 6 | 3.6 | C=CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
54580190 | 62569 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782577 | 62569 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
46842235 | 7834 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 598 | 8 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089629 | 7834 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 598 | 8 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
49764322 | 65439 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 505 | 7 | 3 | 5 | 3.1 | COc1ccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829632 | 65439 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 505 | 7 | 3 | 5 | 3.1 | COc1ccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
11365166 | 74542 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029423 | 74542 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
135981707 | 65788 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 556 | 8 | 2 | 6 | 4.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNC3=NC(Cc4ccccc4)c4ccc(C(F)(F)F)cc43)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834783 | 65788 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 556 | 8 | 2 | 6 | 4.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNC3=NC(Cc4ccccc4)c4ccc(C(F)(F)F)cc43)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
44425654 | 86228 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL231247 | 86228 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44425654 | 86228 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL231247 | 86228 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
57344316 | 68932 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 554 | 7 | 4 | 4 | 5.0 | O=C(NO)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922792 | 68932 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 554 | 7 | 4 | 4 | 5.0 | O=C(NO)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
46240687 | 83583 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 528 | 7 | 3 | 7 | 3.2 | CSc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204267 | 83583 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 528 | 7 | 3 | 7 | 3.2 | CSc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
44439166 | 90544 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 595 | 12 | 5 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL238731 | 90544 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 595 | 12 | 5 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
122181144 | 121830 | 0 | None | 35 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 514 | 6 | 1 | 3 | 5.7 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589839 | 121830 | 0 | None | 35 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 514 | 6 | 1 | 3 | 5.7 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
10182382 | 93960 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL248418 | 93960 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
22143293 | 188025 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497577 | 188025 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
44583282 | 172693 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL450231 | 172693 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
22143241 | 183248 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 510 | 8 | 3 | 4 | 3.8 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL479642 | 183248 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 510 | 8 | 3 | 4 | 3.8 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
56643545 | 68958 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922823 | 68958 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
11591595 | 186155 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 512 | 6 | 2 | 4 | 4.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL487238 | 186155 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 512 | 6 | 2 | 4 | 4.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
54755560 | 65777 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 2 | 7 | 3.4 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834721 | 65777 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 2 | 7 | 3.4 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
56661451 | 65796 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 500 | 6 | 2 | 6 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834791 | 65796 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 500 | 6 | 2 | 6 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
56683044 | 65800 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 521 | 6 | 3 | 8 | 3.4 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834795 | 65800 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 521 | 6 | 3 | 8 | 3.4 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
56662695 | 65803 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 2 | 7 | 4.6 | CCc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834798 | 65803 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 2 | 7 | 4.6 | CCc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
10232019 | 73728 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 584 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018394 | 73728 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 584 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 | 10.1016/j.bmcl.2012.03.007 | ||
57398750 | 71014 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccnnc3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951775 | 71014 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccnnc3)CC2)C1 | 10.1021/ml200030q | ||
127025092 | 138221 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 414 | 2 | 2 | 6 | 1.5 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770125 | 138221 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 414 | 2 | 2 | 6 | 1.5 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
10152864 | 187872 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL496432 | 187872 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
57391768 | 71011 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951772 | 71011 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncn3)CC2)C1 | 10.1021/ml200030q | ||
25022597 | 95337 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL256629 | 95337 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
44425633 | 86039 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230721 | 86039 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44425633 | 86039 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230721 | 86039 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
50991056 | 62564 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782572 | 62564 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
10008367 | 2020 | 50 | None | -2 | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
777 | 2020 | 50 | None | -2 | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289316 | 2020 | 50 | None | -2 | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL2426341 | 2020 | 50 | None | -2 | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
44425635 | 153530 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL398000 | 153530 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
46240585 | 83581 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 524 | 7 | 3 | 6 | 3.6 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204265 | 83581 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 524 | 7 | 3 | 6 | 3.6 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
44353447 | 3773 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
785 | 3773 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
10272003 | 58877 | 1 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688888 | 58877 | 1 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
10272003 | 58877 | 1 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688888 | 58877 | 1 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
21098469 | 142350 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1ccccc1CN1CCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL388742 | 142350 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1ccccc1CN1CCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
54585108 | 62561 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782569 | 62561 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
54583187 | 62572 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 484 | 5 | 2 | 6 | 2.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2O)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782580 | 62572 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 484 | 5 | 2 | 6 | 2.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2O)C1 | 10.1016/j.bmcl.2011.01.034 | ||
46885214 | 7696 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.5 | CC(CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1088810 | 7696 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.5 | CC(CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
145960485 | 161549 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 546 | 6 | 1 | 4 | 7.0 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC2(C=Cc3ccccc32)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128742 | 161549 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 546 | 6 | 1 | 4 | 7.0 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC2(C=Cc3ccccc32)CC1 | 10.1016/j.bmc.2018.05.027 | ||
44442586 | 93809 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247621 | 93809 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
54583112 | 62544 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 513 | 6 | 0 | 7 | 3.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782378 | 62544 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 513 | 6 | 0 | 7 | 3.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
46241826 | 83559 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204243 | 83559 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
145954490 | 161633 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 519 | 8 | 1 | 6 | 3.6 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)cc3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4130047 | 161633 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 519 | 8 | 1 | 6 | 3.6 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)cc3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
70693849 | 73729 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 11 | 5 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018395 | 73729 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 11 | 5 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12 | 10.1016/j.bmcl.2012.03.007 | ||
44453507 | 168976 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 531 | 7 | 2 | 3 | 5.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL439062 | 168976 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 531 | 7 | 2 | 3 | 5.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
54583185 | 62562 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782570 | 62562 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
57393249 | 68959 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C\c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922824 | 68959 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C\c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
22143196 | 183985 | 0 | None | -3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL481790 | 183985 | 0 | None | -3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
22143196 | 183985 | 0 | None | -3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481790 | 183985 | 0 | None | -3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
57656825 | 75206 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 394 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036759 | 75206 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 394 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
46842086 | 7977 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1cccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1090548 | 7977 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1cccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
122181145 | 121831 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 528 | 6 | 1 | 3 | 6.1 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589840 | 121831 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 528 | 6 | 1 | 3 | 6.1 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
44413411 | 77736 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL209002 | 77736 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.01.023 | ||
44413411 | 77736 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL209002 | 77736 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.01.023 | ||
44453534 | 97879 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 451 | 7 | 3 | 5 | 2.5 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272331 | 97879 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 451 | 7 | 3 | 5 | 2.5 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
44413144 | 139217 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL378784 | 139217 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
44413144 | 139217 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL378784 | 139217 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
145960924 | 161543 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 581 | 10 | 1 | 6 | 4.2 | CN(C1CCN(CCCN2CCCc3c(ccnc3NCCc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128658 | 161543 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 581 | 10 | 1 | 6 | 4.2 | CN(C1CCN(CCCN2CCCc3c(ccnc3NCCc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
162658125 | 181094 | 0 | None | 100 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181094 | 0 | None | 100 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
57335017 | 70336 | 0 | None | 1380 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944776 | 70336 | 0 | None | 1380 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
10142792 | 93739 | 0 | None | 26 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247245 | 93739 | 0 | None | 26 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
22143112 | 188443 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL502513 | 188443 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
22143305 | 183610 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480228 | 183610 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44570781 | 192563 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL521275 | 192563 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
56664979 | 65741 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 529 | 6 | 2 | 7 | 4.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834635 | 65741 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 529 | 6 | 2 | 7 | 4.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44425635 | 153530 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL398000 | 153530 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
11421840 | 77636 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 9 | 2 | 5 | 5.2 | CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088379 | 77636 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 9 | 2 | 5 | 5.2 | CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
11273379 | 74546 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029567 | 74546 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
44453365 | 97525 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 465 | 7 | 4 | 6 | 2.0 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL270435 | 97525 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 465 | 7 | 4 | 6 | 2.0 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
53322810 | 58470 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683075 | 58470 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
44425630 | 86025 | 0 | None | 14 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230617 | 86025 | 0 | None | 14 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
9956238 | 60196 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688889 | 60196 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1739922 | 60196 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
9956238 | 60196 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688889 | 60196 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1739922 | 60196 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
21098478 | 142638 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL389168 | 142638 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
21098468 | 144671 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL390837 | 144671 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
68616341 | 73731 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 479 | 11 | 4 | 4 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018397 | 73731 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 479 | 11 | 4 | 4 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
57400161 | 68924 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 553 | 7 | 2 | 3 | 5.9 | CN(C1CCC(c2c[nH]c3ccccc23)CC1)C(C(=O)O)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922784 | 68924 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 553 | 7 | 2 | 3 | 5.9 | CN(C1CCC(c2c[nH]c3ccccc23)CC1)C(C(=O)O)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44442598 | 154385 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL398747 | 154385 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
11843812 | 79902 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL212423 | 79902 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
11606702 | 145752 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL391662 | 145752 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
57344307 | 68936 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922796 | 68936 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44413399 | 79527 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211404 | 79527 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
11843812 | 79902 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL212423 | 79902 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
44413399 | 79527 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211404 | 79527 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
10187492 | 147788 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL393267 | 147788 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
54754723 | 65751 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 6 | 3.4 | CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834644 | 65751 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 6 | 3.4 | CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
57394967 | 68926 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 6.5 | CC(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922786 | 68926 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 6.5 | CC(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44413137 | 78890 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211292 | 78890 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2008.01.023 | ||
162658125 | 181094 | 0 | None | 100 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181094 | 0 | None | 100 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
44425308 | 153704 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL398150 | 153704 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44413137 | 78890 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211292 | 78890 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2008.01.023 | ||
155514261 | 169834 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4439854 | 169834 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
155514261 | 169834 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4439854 | 169834 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
11273379 | 74546 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029567 | 74546 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
122181150 | 121836 | 0 | None | 125 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 608 | 7 | 1 | 3 | 7.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589845 | 121836 | 0 | None | 125 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 608 | 7 | 1 | 3 | 7.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
781 | 3394 | 80 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
9953769 | 3394 | 80 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
10165625 | 73726 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 536 | 13 | 5 | 5 | 4.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018392 | 73726 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 536 | 13 | 5 | 5 | 4.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
46884898 | 7715 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1088874 | 7715 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
46885027 | 8419 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093469 | 8419 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
53325460 | 58492 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683190 | 58492 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
56671923 | 65737 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 3 | 4 | 4.5 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834631 | 65737 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 3 | 4 | 4.5 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
44425630 | 86025 | 0 | None | 14 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230617 | 86025 | 0 | None | 14 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
127025089 | 138303 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 398 | 2 | 2 | 6 | 1.0 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(F)s3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770951 | 138303 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 398 | 2 | 2 | 6 | 1.0 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(F)s3)CC2)C1 | 10.1039/C5MD00362H | ||
44453325 | 155539 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1O | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404269 | 155539 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1O | 10.1016/j.bmcl.2008.02.015 | ||
57395216 | 71010 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ncccn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951771 | 71010 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ncccn3)CC2)C1 | 10.1021/ml200030q | ||
44453372 | 155742 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 433 | 7 | 2 | 3 | 3.4 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL405633 | 155742 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 433 | 7 | 2 | 3 | 3.4 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
10281715 | 73721 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018387 | 73721 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
54582217 | 62568 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782576 | 62568 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
57344314 | 68928 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922788 | 68928 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57394968 | 68927 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 525 | 7 | 3 | 3 | 5.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)NC2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922787 | 68927 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 525 | 7 | 3 | 3 | 5.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)NC2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57391487 | 68933 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 540 | 7 | 3 | 4 | 4.6 | NC(=O)C(NC1CCC(C2CNc3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922793 | 68933 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 540 | 7 | 3 | 4 | 4.6 | NC(=O)C(NC1CCC(C2CNc3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
70692344 | 75196 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 370 | 3 | 2 | 3 | 3.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036749 | 75196 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 370 | 3 | 2 | 3 | 3.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
57398493 | 68948 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 473 | 6 | 4 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922811 | 68948 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 473 | 6 | 4 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44563071 | 186693 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 525 | 6 | 2 | 4 | 4.0 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL488433 | 186693 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 525 | 6 | 2 | 4 | 4.0 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
11632418 | 75195 | 1 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036748 | 75195 | 1 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44415898 | 81119 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL215654 | 81119 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
44415898 | 81119 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL215654 | 81119 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
57344317 | 68930 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 552 | 7 | 3 | 3 | 5.3 | CNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922790 | 68930 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 552 | 7 | 3 | 3 | 5.3 | CNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57344318 | 68931 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 566 | 7 | 2 | 3 | 5.6 | CN(C)C(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922791 | 68931 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 566 | 7 | 2 | 3 | 5.6 | CN(C)C(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44453327 | 95093 | 25 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL255408 | 95093 | 25 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
57393497 | 69130 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924022 | 69130 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
15985912 | 83973 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207081 | 83973 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
57400128 | 69123 | 0 | None | - | 0 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924015 | 69123 | 0 | None | - | 0 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
57400125 | 69112 | 0 | None | - | 0 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924004 | 69112 | 0 | None | - | 0 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
44180522 | 69132 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924024 | 69132 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57393496 | 69129 | 0 | None | - | 0 | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924021 | 69129 | 0 | None | - | 0 | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57656833 | 75227 | 0 | None | 4 | 4 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036782 | 75227 | 0 | None | 4 | 4 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
57393219 | 69120 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 581 | 9 | 2 | 5 | 6.5 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924012 | 69120 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 581 | 9 | 2 | 5 | 6.5 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57400127 | 69122 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 616 | 9 | 2 | 6 | 6.2 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924014 | 69122 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 616 | 9 | 2 | 6 | 6.2 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57393220 | 69124 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924016 | 69124 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
57397001 | 69126 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924018 | 69126 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
57400420 | 69127 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924019 | 69127 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
57393495 | 69128 | 0 | None | - | 0 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 637 | 9 | 2 | 5 | 6.7 | O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924020 | 69128 | 0 | None | - | 0 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 637 | 9 | 2 | 5 | 6.7 | O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57400129 | 69125 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 6.4 | O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924017 | 69125 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 6.4 | O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57395221 | 69131 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924023 | 69131 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57398458 | 69121 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.8 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924013 | 69121 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.8 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
16124598 | 10727 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171008 | 10727 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798435 | 10701 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170828 | 10701 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798434 | 10700 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 490 | 6 | 2 | 5 | 5.5 | O=C(O)c1c(F)cccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170827 | 10700 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 490 | 6 | 2 | 5 | 5.5 | O=C(O)c1c(F)cccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798461 | 10691 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170725 | 10691 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
17756652 | 10728 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 473 | 6 | 2 | 6 | 4.7 | O=C(O)c1cncc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171011 | 10728 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 473 | 6 | 2 | 6 | 4.7 | O=C(O)c1cncc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798461 | 10691 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1170725 | 10691 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57398458 | 69121 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.8 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924013 | 69121 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.8 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57393220 | 69124 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924016 | 69124 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
15985914 | 83972 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207080 | 83972 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
15985914 | 83972 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207080 | 83972 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
15985912 | 83973 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207081 | 83973 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
57394938 | 69116 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924008 | 69116 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57394938 | 69116 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924008 | 69116 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
49798291 | 10555 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 428 | 6 | 2 | 5 | 4.5 | N#Cc1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169652 | 10555 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 428 | 6 | 2 | 5 | 4.5 | N#Cc1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798289 | 10648 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170391 | 10648 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798289 | 10648 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170391 | 10648 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798462 | 10594 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 463 | 5 | 1 | 5 | 5.7 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169994 | 10594 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 463 | 5 | 1 | 5 | 5.7 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
44296310 | 188267 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL49994 | 188267 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
44296310 | 188267 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL49994 | 188267 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44296310 | 188267 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL49994 | 188267 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
49798289 | 10648 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170391 | 10648 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
9870980 | 154645 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL399472 | 154645 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
49798265 | 10726 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171006 | 10726 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798461 | 10691 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1170725 | 10691 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57393218 | 69115 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924007 | 69115 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
9870980 | 154645 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL399472 | 154645 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296287 | 101685 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 472 | 10 | 3 | 3 | 5.3 | CC(=O)Nc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299379 | 101685 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 472 | 10 | 3 | 3 | 5.3 | CC(=O)Nc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
57400125 | 69112 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924004 | 69112 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57400126 | 69113 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924005 | 69113 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
44296265 | 194593 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53131 | 194593 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296265 | 194593 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53131 | 194593 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296265 | 194593 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53131 | 194593 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
49798463 | 10595 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 454 | 5 | 1 | 6 | 4.9 | N#Cc1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169995 | 10595 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 454 | 5 | 1 | 6 | 4.9 | N#Cc1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 | 10.1016/j.bmcl.2010.04.142 | ||
49798289 | 10648 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170391 | 10648 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798347 | 10573 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169824 | 10573 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798323 | 10786 | 0 | None | - | 0 | Mouse | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171760 | 10786 | 0 | None | - | 0 | Mouse | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
19430534 | 10770 | 0 | None | - | 0 | Mouse | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171586 | 10770 | 0 | None | - | 0 | Mouse | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
57396690 | 69118 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924010 | 69118 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57400128 | 69123 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924015 | 69123 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
44296501 | 101784 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL300025 | 101784 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00347-4 | ||
44296501 | 101784 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL300025 | 101784 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
44296501 | 101784 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL300025 | 101784 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
44296264 | 194592 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.6 | CC(C)(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53130 | 194592 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.6 | CC(C)(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
44446951 | 94602 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 12 | 2 | 2 | 6.7 | CCCCc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL252186 | 94602 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 12 | 2 | 2 | 6.7 | CCCCc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44446951 | 94602 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 12 | 2 | 2 | 6.7 | CCCCc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL252186 | 94602 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 12 | 2 | 2 | 6.7 | CCCCc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
49798438 | 10690 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 429 | 5 | 1 | 5 | 5.0 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cccnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170722 | 10690 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 429 | 5 | 1 | 5 | 5.0 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cccnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798323 | 10786 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171760 | 10786 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798464 | 10627 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170187 | 10627 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798264 | 10785 | 0 | None | - | 0 | Mouse | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171758 | 10785 | 0 | None | - | 0 | Mouse | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
57400129 | 69125 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 6.4 | O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924017 | 69125 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 6.4 | O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57400125 | 69112 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924004 | 69112 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57391450 | 69117 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924009 | 69117 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
44296268 | 101841 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 513 | 9 | 3 | 3 | 6.7 | Cc1[nH]c2ccc(O)cc2c1C1CCN(CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL300455 | 101841 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 513 | 9 | 3 | 3 | 6.7 | Cc1[nH]c2ccc(O)cc2c1C1CCN(CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
57393496 | 69129 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924021 | 69129 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57393497 | 69130 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924022 | 69130 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
49798437 | 10557 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 515 | 8 | 3 | 6 | 4.4 | O=C(NCCO)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169660 | 10557 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 515 | 8 | 3 | 6 | 4.4 | O=C(NCCO)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
44296155 | 101500 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL297950 | 101500 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296155 | 101500 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL297950 | 101500 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
57391449 | 69114 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924006 | 69114 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
49798264 | 10785 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171758 | 10785 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798292 | 10556 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 421 | 6 | 2 | 4 | 4.8 | O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169653 | 10556 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 421 | 6 | 2 | 4 | 4.8 | O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798265 | 10726 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171006 | 10726 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
57391450 | 69117 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924009 | 69117 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
44296155 | 101500 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL297950 | 101500 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
57394939 | 69119 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924011 | 69119 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
44296269 | 194733 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 440 | 9 | 2 | 3 | 5.2 | N#Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53557 | 194733 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 440 | 9 | 2 | 3 | 5.2 | N#Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
44296269 | 194733 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 440 | 9 | 2 | 3 | 5.2 | N#Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53557 | 194733 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 440 | 9 | 2 | 3 | 5.2 | N#Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44296287 | 101685 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 472 | 10 | 3 | 3 | 5.3 | CC(=O)Nc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL299379 | 101685 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 472 | 10 | 3 | 3 | 5.3 | CC(=O)Nc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
57400127 | 69122 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 616 | 9 | 2 | 6 | 6.2 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924014 | 69122 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 616 | 9 | 2 | 6 | 6.2 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
49798436 | 10702 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170829 | 10702 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798349 | 10789 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171786 | 10789 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798399 | 10698 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.7 | O=C(O)c1ccccc1Oc1ncccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170801 | 10698 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.7 | O=C(O)c1ccccc1Oc1ncccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798265 | 10726 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171006 | 10726 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
25110660 | 94794 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL253424 | 94794 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
25110660 | 94794 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL253424 | 94794 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296630 | 101363 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL297033 | 101363 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296630 | 101363 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL297033 | 101363 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296630 | 101363 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL297033 | 101363 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296366 | 189424 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cc(O)ccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL51332 | 189424 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cc(O)ccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296384 | 194931 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cccc(O)c23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL54192 | 194931 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cccc(O)c23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
49798292 | 10556 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 421 | 6 | 2 | 4 | 4.8 | O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169653 | 10556 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 421 | 6 | 2 | 4 | 4.8 | O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798264 | 10785 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171758 | 10785 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798264 | 10785 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171758 | 10785 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798397 | 10696 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 4.1 | O=C(O)c1ccccc1Oc1ncncc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170799 | 10696 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 4.1 | O=C(O)c1ccccc1Oc1ncncc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798351 | 10791 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 341 | 5 | 2 | 4 | 3.2 | CS(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1C(=O)O | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171788 | 10791 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 341 | 5 | 2 | 4 | 3.2 | CS(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1C(=O)O | 10.1016/j.bmcl.2010.04.142 | ||
49798325 | 10804 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171938 | 10804 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
57400420 | 69127 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924019 | 69127 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
57391449 | 69114 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924006 | 69114 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
44296087 | 101653 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL299153 | 101653 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296087 | 101653 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299153 | 101653 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296344 | 162552 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 513 | 9 | 2 | 4 | 6.4 | Cn1cc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c2cc(O)ccc21 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL416833 | 162552 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 513 | 9 | 2 | 4 | 6.4 | Cn1cc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c2cc(O)ccc21 | 10.1016/s0960-894x(00)00347-4 | ||
44296087 | 101653 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299153 | 101653 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296469 | 194756 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53779 | 194756 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296409 | 194824 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53930 | 194824 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296469 | 194756 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53779 | 194756 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296409 | 194824 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53930 | 194824 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296469 | 194756 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53779 | 194756 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296409 | 194824 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53930 | 194824 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296629 | 101677 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL299322 | 101677 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296629 | 101677 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299322 | 101677 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296629 | 101677 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299322 | 101677 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
49798350 | 10790 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 443 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171787 | 10790 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 443 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1016/j.bmcl.2010.04.142 | ||
10436045 | 3514 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(00)00347-4 | ||
782 | 3514 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL432713 | 3514 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(00)00347-4 | ||
10436045 | 3514 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
782 | 3514 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL432713 | 3514 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
49798398 | 10697 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.7 | O=C(O)c1ccccc1Oc1cnccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170800 | 10697 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.7 | O=C(O)c1ccccc1Oc1cnccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798489 | 10731 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 434 | 5 | 1 | 6 | 4.6 | Cc1ncccc1Oc1ncc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171035 | 10731 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 434 | 5 | 1 | 6 | 4.6 | Cc1ncccc1Oc1ncc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
10436045 | 3514 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
782 | 3514 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL432713 | 3514 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
49798325 | 10804 | 0 | None | - | 0 | Mouse | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171938 | 10804 | 0 | None | - | 0 | Mouse | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
25110679 | 168150 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL433081 | 168150 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00347-4 | ||
25110679 | 168150 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL433081 | 168150 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
25110679 | 168150 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL433081 | 168150 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
44296428 | 101759 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL299855 | 101759 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296428 | 101759 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299855 | 101759 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296428 | 101759 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299855 | 101759 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
25110564 | 194771 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53819 | 194771 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
25110564 | 194771 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53819 | 194771 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
25110564 | 194771 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53819 | 194771 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
25110564 | 194771 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53819 | 194771 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44296398 | 188288 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL50025 | 188288 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
44296398 | 188288 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL50025 | 188288 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44296410 | 194717 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53476 | 194717 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296410 | 194717 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53476 | 194717 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296398 | 188288 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL50025 | 188288 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44296410 | 194717 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53476 | 194717 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
10940216 | 191206 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 513 | 10 | 2 | 3 | 6.7 | COc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL51895 | 191206 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 513 | 10 | 2 | 3 | 6.7 | COc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 | 10.1016/s0960-894x(00)00347-4 | ||
44296077 | 101882 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 485 | 10 | 2 | 2 | 6.6 | O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL300744 | 101882 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 485 | 10 | 2 | 2 | 6.6 | O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296077 | 101882 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 485 | 10 | 2 | 2 | 6.6 | O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL300744 | 101882 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 485 | 10 | 2 | 2 | 6.6 | O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44180522 | 69132 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924024 | 69132 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57393219 | 69120 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 581 | 9 | 2 | 5 | 6.5 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924012 | 69120 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 581 | 9 | 2 | 5 | 6.5 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57393495 | 69128 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 637 | 9 | 2 | 5 | 6.7 | O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924020 | 69128 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 637 | 9 | 2 | 5 | 6.7 | O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57400126 | 69113 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924005 | 69113 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
49798265 | 10726 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171006 | 10726 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798291 | 10555 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 428 | 6 | 2 | 5 | 4.5 | N#Cc1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169652 | 10555 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 428 | 6 | 2 | 5 | 4.5 | N#Cc1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798326 | 10744 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 417 | 6 | 2 | 4 | 4.9 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171207 | 10744 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 417 | 6 | 2 | 4 | 4.9 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798326 | 10744 | 0 | None | - | 0 | Mouse | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 417 | 6 | 2 | 4 | 4.9 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171207 | 10744 | 0 | None | - | 0 | Mouse | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 417 | 6 | 2 | 4 | 4.9 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 | 10.1016/j.bmcl.2010.04.142 | ||
44296309 | 188626 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL50301 | 188626 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296309 | 188626 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL50301 | 188626 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296309 | 188626 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL50301 | 188626 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
9870980 | 204283 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL71297 | 204283 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
57394939 | 69119 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924011 | 69119 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
9870980 | 204283 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL71297 | 204283 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296154 | 189152 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL51094 | 189152 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296154 | 189152 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL51094 | 189152 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296154 | 189152 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL51094 | 189152 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
49798348 | 10773 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171614 | 10773 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
25110678 | 194545 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL52956 | 194545 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
25110678 | 194545 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL52956 | 194545 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
25110678 | 194545 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL52956 | 194545 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44296137 | 101574 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 576 | 11 | 3 | 4 | 6.0 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL298562 | 101574 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 576 | 11 | 3 | 4 | 6.0 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 | 10.1016/s0960-894x(00)00347-4 | ||
25110660 | 154870 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL400698 | 154870 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
57393218 | 69115 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924007 | 69115 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
15985912 | 83973 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207081 | 83973 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
71214709 | 83976 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207084 | 83976 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
71214709 | 83976 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207084 | 83976 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
25110660 | 154870 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL400698 | 154870 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296628 | 188713 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL50460 | 188713 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296266 | 194851 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53991 | 194851 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/s0960-894x(00)00347-4 | ||
44296628 | 188713 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL50460 | 188713 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296266 | 194851 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53991 | 194851 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/j.bmcl.2007.12.072 | ||
57396690 | 69118 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924010 | 69118 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
49798396 | 10756 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 4.1 | O=C(O)c1ccccc1Oc1nccnc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171398 | 10756 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 4.1 | O=C(O)c1ccccc1Oc1nccnc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
19430534 | 10770 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171586 | 10770 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
44296628 | 188713 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL50460 | 188713 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296266 | 194851 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53991 | 194851 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/j.bmcl.2007.12.072 | ||
57397001 | 69126 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924018 | 69126 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
57395221 | 69131 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924023 | 69131 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
44296429 | 194704 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53402 | 194704 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296429 | 194704 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53402 | 194704 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296429 | 194704 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53402 | 194704 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
8921 | 3136 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | None | ||||
11185 | 1989 | 42 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | None | ||
25134303 | 1989 | 42 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | None | ||
CHEMBL2178573 | 1989 | 42 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | None | ||
DB16066 | 1989 | 42 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | None | ||
769 | 824 | 0 | None | -28 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
769 | 824 | 0 | None | -28 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 15207250 | ||||
11192346 | 2022 | 57 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 24900280 | ||
9032 | 2022 | 57 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 24900280 | ||
CHEMBL2029422 | 2022 | 57 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 24900280 | ||
11527661 | 2019 | 30 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 24900329 | ||
9045 | 2019 | 30 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 24900329 | ||
CHEMBL1963131 | 2019 | 30 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 24900329 | ||
776 | 852 | 0 | None | 1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 15207250 | ||||
759 | 866 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
759 | 866 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9276730 | ||||
759 | 866 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9346309 | ||||
11597 | 673 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 34141082 | ||
23725180 | 673 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 34141082 | ||
CHEMBL4781426 | 673 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 34141082 | ||
46213922 | 546 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 411 | 3 | 2 | 4 | 1.8 | O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl | None | ||
57656761 | 546 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 411 | 3 | 2 | 4 | 1.8 | O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl | None | ||
7825 | 546 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 411 | 3 | 2 | 4 | 1.8 | O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl | None | ||
772 | 869 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
770 | 827 | 0 | None | -7 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
770 | 827 | 0 | None | -7 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 9276730 | ||||
68764898 | 671 | 2 | None | 3 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 25893046 | ||
9430 | 671 | 2 | None | 3 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 25893046 | ||
CHEMBL3577945 | 671 | 2 | None | 3 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 25893046 | ||
771 | 835 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 10770925 | ||||
771 | 835 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
771 | 835 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 15207250 | ||||
771 | 835 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 9276730 | ||||
771 | 835 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 9346309 | ||||
775 | 848 | 0 | None | -316 | 2 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | None | None | None | None | 15207250 | ||||
10000456 | 3387 | 33 | None | 1 | 2 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 390 | 3 | 1 | 3 | 4.8 | O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F | 10770925 | ||
779 | 3387 | 33 | None | 1 | 2 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 390 | 3 | 1 | 3 | 4.8 | O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F | 10770925 | ||
CHEMBL1593104 | 3387 | 33 | None | 1 | 2 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 390 | 3 | 1 | 3 | 4.8 | O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F | 10770925 | ||
774 | 3975 | 0 | None | - | 1 | Human | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
10008367 | 2020 | 50 | None | -2 | 3 | Mouse | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 16210643 | ||
777 | 2020 | 50 | None | -2 | 3 | Mouse | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 16210643 | ||
CHEMBL1289316 | 2020 | 50 | None | -2 | 3 | Mouse | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 16210643 | ||
CHEMBL2426341 | 2020 | 50 | None | -2 | 3 | Mouse | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 16210643 | ||
773 | 1935 | 0 | None | 12 | 2 | Human | 8.3 | pIC50 | None | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 9789057 | ||||
5071702 | 3390 | 0 | None | - | 1 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 235 | 3 | 1 | 2 | 2.9 | Clc1cccc(c1)Cn1cccc1C(=O)O | 10770925 | ||
780 | 3390 | 0 | None | - | 1 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 235 | 3 | 1 | 2 | 2.9 | Clc1cccc(c1)Cn1cccc1C(=O)O | 10770925 | ||
778 | 2466 | 0 | None | - | 1 | Human | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 9600978 | ||||
486830 | 4000 | 0 | None | 6 | 5 | Human | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9287217 | ||||
768 | 4000 | 0 | None | 6 | 5 | Human | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9287217 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
Vendors |
Reference ligand |
Fold selectivity |
Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
183790 | 3740 | 11 | None | -6 | 2 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | |||
4410 | 3135 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
65015 | 3135 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
844 | 3135 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
CHEMBL18442 | 3135 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
DB06809 | 3135 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | |||
4410 | 3135 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
65015 | 3135 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
844 | 3135 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
CHEMBL18442 | 3135 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
DB06809 | 3135 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | |||
68767577 | 109814 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 3.7 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233186 | 109814 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 3.7 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
68988296 | 109816 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 559 | 7 | 1 | 5 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233188 | 109816 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 559 | 7 | 1 | 5 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
11627840 | 95697 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 6.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL258205 | 95697 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 6.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
68764898 | 671 | 2 | None | - | 3 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | |||
9430 | 671 | 2 | None | - | 3 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | |||
CHEMBL3577945 | 671 | 2 | None | - | 3 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | |||
90656027 | 111124 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 557 | 4 | 1 | 5 | 4.6 | CNC(=O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263286 | 111124 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 557 | 4 | 1 | 5 | 4.6 | CNC(=O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | |||
91884571 | 181458 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4764460 | 181458 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
46886055 | 8042 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 593 | 9 | 1 | 5 | 4.8 | CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1090893 | 8042 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 593 | 9 | 1 | 5 | 4.8 | CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
68767577 | 109814 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 3.7 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233186 | 109814 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 3.7 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
10289827 | 187974 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL497202 | 187974 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
46886536 | 8304 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 593 | 8 | 1 | 5 | 4.7 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1092678 | 8304 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 593 | 8 | 1 | 5 | 4.7 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
154572822 | 171099 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | |||
CHEMBL4457723 | 171099 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | |||
16064151 | 121237 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.2 | CC(C)[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | |||
CHEMBL3577948 | 121237 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.2 | CC(C)[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | |||
44425292 | 85966 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL230281 | 85966 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
68764925 | 121235 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | |||
CHEMBL3577946 | 121235 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | |||
46865775 | 8112 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL1091605 | 8112 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2014.02.013 | |||
68769744 | 109815 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 533 | 8 | 1 | 5 | 4.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233187 | 109815 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 533 | 8 | 1 | 5 | 4.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
11192346 | 2022 | 57 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
9032 | 2022 | 57 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
CHEMBL2029422 | 2022 | 57 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
68764925 | 121235 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | |||
CHEMBL3577946 | 121235 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | |||
68767049 | 121232 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | |||
CHEMBL3577942 | 121232 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | |||
162668957 | 182758 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4790208 | 182758 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
68769143 | 109812 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 3.3 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233184 | 109812 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 3.3 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | |||
11643006 | 95272 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 618 | 8 | 3 | 5 | 5.3 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL256301 | 95272 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 618 | 8 | 3 | 5 | 5.3 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
11540494 | 95468 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 6 | 2 | 3 | 4.9 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL257191 | 95468 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 6 | 2 | 3 | 4.9 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
11598 | 672 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | |||
23725177 | 672 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | |||
CHEMBL4442783 | 672 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | |||
11598 | 672 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | |||
23725177 | 672 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4442783 | 672 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | |||
68767802 | 109809 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 7 | 1 | 6 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233181 | 109809 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 7 | 1 | 6 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | |||
68764898 | 671 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | |||
9430 | 671 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | |||
CHEMBL3577945 | 671 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | |||
68764898 | 671 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | |||
9430 | 671 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | |||
CHEMBL3577945 | 671 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | |||
11597 | 673 | 5 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | |||
23725180 | 673 | 5 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4781426 | 673 | 5 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | |||
46865774 | 8111 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1091604 | 8111 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
46886539 | 8347 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 597 | 8 | 1 | 5 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1092941 | 8347 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 597 | 8 | 1 | 5 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
46865774 | 8111 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1091604 | 8111 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | |||
44425294 | 143363 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 651 | 8 | 3 | 5 | 6.8 | CNC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL389771 | 143363 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 651 | 8 | 3 | 5 | 6.8 | CNC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
46865774 | 8111 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1021/ml500505q | |||
CHEMBL1091604 | 8111 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1021/ml500505q | |||
66767933 | 121223 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 531 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | |||
CHEMBL3577933 | 121223 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 531 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | |||
11192943 | 77622 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 628 | 8 | 2 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088212 | 77622 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 628 | 8 | 2 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
68772423 | 171962 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 541 | 7 | 1 | 7 | 3.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | |||
CHEMBL4470701 | 171962 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 541 | 7 | 1 | 7 | 3.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | |||
50925394 | 19326 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1290636 | 19326 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
22143334 | 187806 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL495924 | 187806 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
68988296 | 109816 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 559 | 7 | 1 | 5 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233188 | 109816 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 559 | 7 | 1 | 5 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
11721374 | 94991 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 604 | 8 | 3 | 5 | 4.4 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL254772 | 94991 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 604 | 8 | 3 | 5 | 4.4 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
44448839 | 155452 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 6 | 3 | 4 | 4.7 | Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL403889 | 155452 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 6 | 3 | 4 | 4.7 | Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
44448879 | 155666 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 527 | 6 | 3 | 4 | 4.8 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL404904 | 155666 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 527 | 6 | 3 | 4 | 4.8 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
46865775 | 8112 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1091605 | 8112 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
46865775 | 8112 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL1091605 | 8112 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2014.02.013 | |||
57402219 | 71006 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | |||
CHEMBL1951766 | 71006 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | |||
68767049 | 121232 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | |||
CHEMBL3577942 | 121232 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | |||
68867935 | 109813 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 539 | 9 | 1 | 5 | 4.0 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233185 | 109813 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 539 | 9 | 1 | 5 | 4.0 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | |||
11598 | 672 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | |||
23725177 | 672 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | |||
CHEMBL4442783 | 672 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | |||
11598 | 672 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | |||
23725177 | 672 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4442783 | 672 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | |||
66768099 | 121222 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 517 | 13 | 6 | 5 | 2.9 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | |||
CHEMBL3577932 | 121222 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 517 | 13 | 6 | 5 | 2.9 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | |||
69035439 | 77646 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 576 | 7 | 1 | 5 | 5.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088388 | 77646 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 576 | 7 | 1 | 5 | 5.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
68767124 | 109808 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 3.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233180 | 109808 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 3.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | |||
68769143 | 109812 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 3.3 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233184 | 109812 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 3.3 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | |||
89845025 | 109817 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 575 | 8 | 1 | 6 | 4.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233189 | 109817 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 575 | 8 | 1 | 6 | 4.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
44593562 | 187493 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494191 | 187493 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
46865774 | 8111 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1021/ml500505q | |||
CHEMBL1091604 | 8111 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1021/ml500505q | |||
68768923 | 109818 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 577 | 7 | 1 | 5 | 4.3 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233190 | 109818 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 577 | 7 | 1 | 5 | 4.3 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | |||
10240064 | 188426 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL502247 | 188426 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
10129192 | 188457 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 11 | 2 | 6 | 4.6 | CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL502793 | 188457 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 11 | 2 | 6 | 4.6 | CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | |||
91884571 | 181458 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4764460 | 181458 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
10144709 | 166882 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 574 | 6 | 2 | 3 | 6.7 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL428602 | 166882 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 574 | 6 | 2 | 3 | 6.7 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
44425245 | 85774 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 608 | 7 | 2 | 5 | 6.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CCC12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL229316 | 85774 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 608 | 7 | 2 | 5 | 6.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CCC12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
44425281 | 153244 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 612 | 9 | 4 | 5 | 6.2 | N=C(N)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL397749 | 153244 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 612 | 9 | 4 | 5 | 6.2 | N=C(N)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
11606411 | 85306 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | |||
CHEMBL226066 | 85306 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | |||
11598 | 672 | 9 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1016/j.ejmech.2020.112736 | |||
23725177 | 672 | 9 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1016/j.ejmech.2020.112736 | |||
CHEMBL4442783 | 672 | 9 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1016/j.ejmech.2020.112736 | |||
57335017 | 70336 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1944776 | 70336 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
10175425 | 193531 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 614 | 10 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL526752 | 193531 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 614 | 10 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
155531379 | 171603 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 532 | 7 | 1 | 5 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](N(C)S(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | |||
CHEMBL4465351 | 171603 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 532 | 7 | 1 | 5 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](N(C)S(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | |||
44454820 | 97888 | 8 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.016 | |||
CHEMBL272369 | 97888 | 8 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.016 | |||
44425293 | 153462 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL397948 | 153462 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44423283 | 85305 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | |||
CHEMBL226065 | 85305 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | |||
44593563 | 193108 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL522688 | 193108 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | |||
44593562 | 187493 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494191 | 187493 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
71768865 | 111120 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 499 | 3 | 0 | 4 | 4.8 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263282 | 111120 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 499 | 3 | 0 | 4 | 4.8 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | 10.1016/j.bmcl.2014.03.036 | |||
162666730 | 182272 | 1 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4783861 | 182272 | 1 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
162656188 | 180913 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4757857 | 180913 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | |||
24794583 | 181091 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4760098 | 181091 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | |||
44425254 | 142258 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL388487 | 142258 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
16066354 | 121233 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 5.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O | 10.1021/ml500505q | |||
CHEMBL3577943 | 121233 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 5.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O | 10.1021/ml500505q | |||
122178128 | 121230 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 5.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 | 10.1021/ml500505q | |||
CHEMBL3577940 | 121230 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 5.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 | 10.1021/ml500505q | |||
42606792 | 109806 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233178 | 109806 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | |||
42606792 | 109806 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | |||
CHEMBL3233178 | 109806 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | |||
44425250 | 86050 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 630 | 9 | 2 | 5 | 6.9 | CC(=O)Nc1nc(C(CCN2CCC(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL230790 | 86050 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 630 | 9 | 2 | 5 | 6.9 | CC(=O)Nc1nc(C(CCN2CCC(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
16216716 | 153527 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL397996 | 153527 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
22143255 | 187856 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL496343 | 187856 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
11753466 | 77638 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 575 | 8 | 2 | 6 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088380 | 77638 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 575 | 8 | 2 | 6 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
69035677 | 77647 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 590 | 8 | 1 | 5 | 5.6 | CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088389 | 77647 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 590 | 8 | 1 | 5 | 5.6 | CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
155529593 | 171453 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 2.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | |||
CHEMBL4463290 | 171453 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 2.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | |||
44425652 | 168766 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL437359 | 168766 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
50925394 | 19326 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1290636 | 19326 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
52941377 | 19327 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1290637 | 19327 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
68004034 | 86580 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315922 | 86580 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
76315270 | 84898 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 4.4 | CCO[C@@H]1CN([C@H]2CC[C@@](O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CCC(=O)c1cccc(C(F)(F)F)c1 | 10.1007/s00044-010-9497-9 | |||
CHEMBL2236474 | 84898 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 4.4 | CCO[C@@H]1CN([C@H]2CC[C@@](O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CCC(=O)c1cccc(C(F)(F)F)c1 | 10.1007/s00044-010-9497-9 | |||
162666730 | 182272 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4783861 | 182272 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
53389845 | 172959 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4517518 | 172959 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
11663882 | 95109 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1cccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL255500 | 95109 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1cccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 | 10.1016/j.bmcl.2008.05.010 | |||
11713221 | 95599 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL257768 | 95599 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
11606147 | 155341 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.7 | O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL403250 | 155341 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.7 | O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
44448807 | 155396 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 558 | 6 | 4 | 4 | 5.7 | O=C(O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL403581 | 155396 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 558 | 6 | 4 | 4 | 5.7 | O=C(O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
57656715 | 75204 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 4.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036757 | 75204 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 4.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
70693849 | 73729 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 491 | 11 | 5 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018395 | 73729 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 491 | 11 | 5 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12 | 10.1016/j.bmcl.2012.03.007 | |||
49763682 | 65419 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 489 | 7 | 2 | 4 | 4.0 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829612 | 65419 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 489 | 7 | 2 | 4 | 4.0 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | |||
44441352 | 93381 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 509 | 7 | 1 | 2 | 6.8 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL245686 | 93381 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 509 | 7 | 1 | 2 | 6.8 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
44441347 | 93790 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 455 | 7 | 1 | 2 | 6.1 | Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)cc2)cc1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL247537 | 93790 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 455 | 7 | 1 | 2 | 6.1 | Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)cc2)cc1 | 10.1016/j.bmcl.2007.01.115 | |||
44425631 | 142073 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 564 | 5 | 1 | 2 | 7.6 | CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL388007 | 142073 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 564 | 5 | 1 | 2 | 7.6 | CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44413089 | 77905 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 459 | 8 | 1 | 3 | 5.1 | CN(C)CC/C=N/[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL209411 | 77905 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 459 | 8 | 1 | 3 | 5.1 | CN(C)CC/C=N/[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
11319072 | 74540 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cncnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029420 | 74540 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cncnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
11330837 | 74549 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | |||
CHEMBL2029570 | 74549 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | |||
11756884 | 19087 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1289083 | 19087 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
11562947 | 89824 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 544 | 6 | 3 | 4 | 5.6 | O=C(O)C(C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL237754 | 89824 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 544 | 6 | 3 | 4 | 5.6 | O=C(O)C(C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
12093170 | 871 | 31 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | |||
9431 | 871 | 31 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | |||
CHEMBL4519152 | 871 | 31 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | |||
CHEMBL5268600 | 193570 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C2CCC(O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/acs.jmedchem.6b01309 | |||
57395216 | 71010 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ncccn3)CC2)C1 | 10.1021/ml200030q | |||
CHEMBL1951771 | 71010 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ncccn3)CC2)C1 | 10.1021/ml200030q | |||
53322809 | 58455 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683060 | 58455 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
53321483 | 58473 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 3.5 | CCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683078 | 58473 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 3.5 | CCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
57391766 | 71015 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cnccn3)CC2)C1 | 10.1021/ml200030q | |||
CHEMBL1951776 | 71015 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cnccn3)CC2)C1 | 10.1021/ml200030q | |||
162658125 | 181094 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4760108 | 181094 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
10184250 | 73700 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 10 | 4 | 4 | 3.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)C(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018365 | 73700 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 10 | 4 | 4 | 3.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)C(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
10186010 | 73709 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 513 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)c2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018375 | 73709 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 513 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)c2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
46241120 | 83574 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 481 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cccs3)CC2)C1 | 10.1021/ml300260s | |||
CHEMBL2204258 | 83574 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 481 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cccs3)CC2)C1 | 10.1021/ml300260s | |||
44442557 | 154923 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 504 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2(C)CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL401010 | 154923 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 504 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2(C)CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
781 | 3394 | 80 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | |||
9953769 | 3394 | 80 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | |||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | |||
89823342 | 126357 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650405 | 126357 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
56680600 | 65415 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CC=C(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829607 | 65415 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CC=C(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
44413167 | 79717 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL211560 | 79717 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
46842232 | 7880 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1089965 | 7880 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | |||
10161975 | 93958 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL248416 | 93958 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
11843945 | 78050 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 504 | 8 | 1 | 2 | 6.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
CHEMBL209975 | 78050 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 504 | 8 | 1 | 2 | 6.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
5481702 | 205821 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | |||
CHEMBL83338 | 205821 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | |||
56672021 | 65613 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 433 | 5 | 2 | 5 | 3.0 | C#C[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1833983 | 65613 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 433 | 5 | 2 | 5 | 3.0 | C#C[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
44453208 | 169420 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL442451 | 169420 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
11329244 | 71114 | 11 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 486 | 7 | 2 | 5 | 5.4 | CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm049530m | |||
CHEMBL195433 | 71114 | 11 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 486 | 7 | 2 | 5 | 5.4 | CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm049530m | |||
11272103 | 124373 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 505 | 7 | 2 | 6 | 4.7 | Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 | 10.1021/jm049530m | |||
CHEMBL363840 | 124373 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 505 | 7 | 2 | 6 | 4.7 | Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 | 10.1021/jm049530m | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | |||
785 | 3773 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | |||
11227368 | 77641 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 618 | 9 | 2 | 5 | 6.2 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C3CCCC3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088383 | 77641 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 618 | 9 | 2 | 5 | 6.2 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C3CCCC3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
25267730 | 148247 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 421 | 6 | 1 | 2 | 5.2 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)CC1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL393632 | 148247 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 421 | 6 | 1 | 2 | 5.2 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)CC1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
9885683 | 18945 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 369 | 3 | 1 | 4 | 3.9 | O=C(O)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL128640 | 18945 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 369 | 3 | 1 | 4 | 3.9 | O=C(O)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
89823584 | 126326 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 537 | 6 | 1 | 6 | 3.8 | COc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@]23CCC[C@@H]2C[C@@H](N[C@H]2CCOC[C@H]2OC)C3)cc1C(F)(F)F | nan | |||
CHEMBL3650376 | 126326 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 537 | 6 | 1 | 6 | 3.8 | COc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@]23CCC[C@@H]2C[C@@H](N[C@H]2CCOC[C@H]2OC)C3)cc1C(F)(F)F | nan | |||
162658125 | 181094 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4760108 | 181094 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
44353196 | 20923 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 343 | 3 | 1 | 4 | 4.2 | Clc1ccc(Cn2c(-c3nn[nH]n3)cc3ccccc32)cc1Cl | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL131087 | 20923 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 343 | 3 | 1 | 4 | 4.2 | Clc1ccc(Cn2c(-c3nn[nH]n3)cc3ccccc32)cc1Cl | 10.1016/j.bmcl.2003.10.049 | |||
10371682 | 73813 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 620 | 11 | 4 | 6 | 5.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018541 | 73813 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 620 | 11 | 4 | 6 | 5.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O | 10.1016/j.bmcl.2012.03.007 | |||
22310939 | 115663 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2ccc(C(F)(F)F)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL335378 | 115663 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2ccc(C(F)(F)F)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
70681778 | 75215 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)c1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036768 | 75215 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)c1 | 10.1016/j.bmcl.2012.04.118 | |||
89823498 | 126311 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 | nan | |||
CHEMBL3650361 | 126311 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 | nan | |||
44439169 | 90772 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL239170 | 90772 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
44439169 | 90772 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL239170 | 90772 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
49863202 | 15210 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 550 | 12 | 1 | 4 | 7.6 | CCN(CC)C(C)CCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL1210670 | 15210 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 550 | 12 | 1 | 4 | 7.6 | CCN(CC)C(C)CCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
71518728 | 86406 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CCCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314065 | 86406 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CCCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
44414578 | 78406 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.2 | C[C@](CCN1CCC(c2ccccc2)CC1)(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
CHEMBL211106 | 78406 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.2 | C[C@](CCN1CCC(c2ccccc2)CC1)(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
11570431 | 91980 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL241502 | 91980 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
44353418 | 22535 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2cccc([N+](=O)[O-])c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL132584 | 22535 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2cccc([N+](=O)[O-])c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
71768830 | 111103 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 485 | 4 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2SCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263261 | 111103 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 485 | 4 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2SCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
57344302 | 130645 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 554 | 7 | 3 | 4 | 5.3 | CC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1 | nan | |||
CHEMBL3681893 | 130645 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 554 | 7 | 3 | 4 | 5.3 | CC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1 | nan | |||
72663455 | 129399 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
CHEMBL3671251 | 129399 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
11753664 | 77620 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 596 | 9 | 2 | 6 | 5.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088210 | 77620 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 596 | 9 | 2 | 6 | 5.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
10207639 | 73810 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 508 | 12 | 4 | 5 | 3.7 | CCC[C@H](OC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018538 | 73810 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 508 | 12 | 4 | 5 | 3.7 | CCC[C@H](OC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
44595711 | 137319 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3752627 | 137319 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
53322810 | 58470 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683075 | 58470 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
11409228 | 74532 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029412 | 74532 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
70689914 | 74550 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | |||
CHEMBL2029571 | 74550 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | |||
44453440 | 97686 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL271288 | 97686 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
10142792 | 93739 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247245 | 93739 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
71768689 | 111109 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263269 | 111109 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
53319664 | 58675 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684700 | 58675 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
23630215 | 62542 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782376 | 62542 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | |||
53321482 | 58459 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683064 | 58459 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
53318314 | 58669 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 445 | 5 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684692 | 58669 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 445 | 5 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
53323654 | 58674 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 6 | 1 | 5 | 2.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684699 | 58674 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 6 | 1 | 5 | 2.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
72947191 | 105258 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 600 | 7 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115275 | 105258 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 600 | 7 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
49763574 | 65442 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 477 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](F)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829636 | 65442 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 477 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](F)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
44442532 | 93483 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246213 | 93483 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44442594 | 93771 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCc3ccccc3)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247456 | 93771 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCc3ccccc3)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
10205937 | 93961 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL248419 | 93961 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
10300282 | 154775 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 494 | 10 | 3 | 5 | 2.3 | CON(C)C(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL400158 | 154775 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 494 | 10 | 3 | 5 | 2.3 | CON(C)C(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
22310954 | 24076 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL133839 | 24076 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
71518897 | 86387 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(Cl)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313782 | 86387 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(Cl)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
44442571 | 154778 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 2.6 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL400160 | 154778 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 2.6 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | |||
11843946 | 139543 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 490 | 7 | 1 | 2 | 6.1 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
CHEMBL379624 | 139543 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 490 | 7 | 1 | 2 | 6.1 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
11844079 | 141475 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 580 | 9 | 1 | 2 | 7.9 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
CHEMBL384368 | 141475 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 580 | 9 | 1 | 2 | 7.9 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
23655877 | 169481 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 460 | 5 | 3 | 3 | 4.7 | O=C(O)C(C1CCN(C(=O)Nc2ccccc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL443058 | 169481 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 460 | 5 | 3 | 3 | 4.7 | O=C(O)C(C1CCN(C(=O)Nc2ccccc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
44395113 | 66115 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL183966 | 66115 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
44395058 | 66331 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 385 | 7 | 0 | 3 | 4.8 | c1ccc(C(CCN2CCCN(Cc3ccncc3)CC2)c2ccccc2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL185032 | 66331 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 385 | 7 | 0 | 3 | 4.8 | c1ccc(C(CCN2CCCN(Cc3ccncc3)CC2)c2ccccc2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
18426192 | 66004 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.1 | O=C(CNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL183681 | 66004 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.1 | O=C(CNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | |||
44395093 | 67124 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 384 | 8 | 1 | 3 | 4.1 | O=C(CCCC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL187476 | 67124 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 384 | 8 | 1 | 3 | 4.1 | O=C(CCCC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
176 | 398 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2157 | 398 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2566 | 398 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
CHEMBL633 | 398 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
DB01118 | 398 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
44425322 | 153199 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 738 | 9 | 2 | 5 | 8.6 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)C3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL397717 | 153199 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 738 | 9 | 2 | 5 | 8.6 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)C3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
89823655 | 126318 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C)C1 | nan | |||
CHEMBL3650368 | 126318 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C)C1 | nan | |||
44444096 | 93988 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1ccccc1C1CCN(CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL248617 | 93988 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1ccccc1C1CCN(CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
44570713 | 179957 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 580 | 8 | 6 | 6 | 2.5 | CNC(=O)NC1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL474665 | 179957 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 580 | 8 | 6 | 6 | 2.5 | CNC(=O)NC1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.12.062 | |||
46830335 | 8213 | 8 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1092238 | 8213 | 8 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
122181150 | 121836 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 608 | 7 | 1 | 3 | 7.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | |||
CHEMBL3589845 | 121836 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 608 | 7 | 1 | 3 | 7.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | |||
49863199 | 15207 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 528 | 9 | 1 | 4 | 7.1 | O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL1210667 | 15207 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 528 | 9 | 1 | 4 | 7.1 | O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.ejmech.2010.04.024 | |||
44439158 | 146825 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 542 | 10 | 1 | 4 | 7.5 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL392493 | 146825 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 542 | 10 | 1 | 4 | 7.5 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.bmcl.2006.10.060 | |||
46884818 | 7869 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1089881 | 7869 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
22310877 | 19541 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 285 | 3 | 1 | 2 | 4.0 | O=C(O)c1cc2ccccc2n1Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL129958 | 19541 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 285 | 3 | 1 | 2 | 4.0 | O=C(O)c1cc2ccccc2n1Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
42632811 | 93471 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL246104 | 93471 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
127027628 | 137470 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(Cl)cc(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753826 | 137470 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(Cl)cc(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
44453373 | 97809 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL271935 | 97809 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
44454793 | 155090 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | |||
CHEMBL401890 | 155090 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | |||
23656261 | 89071 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 6 | 2 | 3 | 5.1 | Cc1ccc(/C=C/C(=O)N2CCC(C(C(=O)O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1021/jm070902b | |||
CHEMBL236510 | 89071 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 6 | 2 | 3 | 5.1 | Cc1ccc(/C=C/C(=O)N2CCC(C(C(=O)O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1021/jm070902b | |||
53318855 | 58478 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 2.7 | COCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683083 | 58478 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 2.7 | COCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
44453409 | 95437 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL257065 | 95437 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
44453441 | 97687 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 498 | 6 | 3 | 4 | 3.2 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL271289 | 97687 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 498 | 6 | 3 | 4 | 3.2 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
72946982 | 105227 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115103 | 105227 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
46842086 | 7977 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1cccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1090548 | 7977 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1cccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | |||
44580424 | 188024 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 8 | 4 | 5 | 4.0 | CSc1ccc(CNC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL497576 | 188024 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 8 | 4 | 5 | 4.0 | CSc1ccc(CNC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
11502188 | 75199 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036752 | 75199 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
10184007 | 159059 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 475 | 7 | 3 | 3 | 4.6 | Cc1cc(C)c(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
CHEMBL409712 | 159059 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 475 | 7 | 3 | 3 | 4.6 | Cc1cc(C)c(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
22310971 | 20484 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2c(C(F)(F)F)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL130724 | 20484 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2c(C(F)(F)F)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
22143196 | 183985 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL481790 | 183985 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
56671923 | 65737 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 3 | 4 | 4.5 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834631 | 65737 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 3 | 4 | 4.5 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
54755079 | 65739 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 528 | 8 | 4 | 5 | 3.5 | NC(=O)Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cc1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834633 | 65739 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 528 | 8 | 4 | 5 | 3.5 | NC(=O)Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cc1 | 10.1016/j.bmcl.2011.08.074 | |||
54754968 | 65740 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 7 | 3 | 6 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834634 | 65740 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 7 | 3 | 6 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | |||
57400452 | 70507 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1946832 | 70507 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
57393347 | 70337 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 623 | 10 | 4 | 6 | 3.4 | CCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1944777 | 70337 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 623 | 10 | 4 | 6 | 3.4 | CCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
44416138 | 138872 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL378195 | 138872 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
9850318 | 95243 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL256154 | 95243 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
53324942 | 58676 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684701 | 58676 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
12093170 | 871 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | |||
9431 | 871 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4519152 | 871 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | |||
162658125 | 181094 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4760108 | 181094 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
53326225 | 58668 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 3.0 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684691 | 58668 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 3.0 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
44583283 | 188284 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 714 | 11 | 3 | 8 | 6.0 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL500175 | 188284 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 714 | 11 | 3 | 8 | 6.0 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
22143305 | 183610 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL480228 | 183610 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
12093170 | 871 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | |||
9431 | 871 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4519152 | 871 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | |||
162658125 | 181094 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4760108 | 181094 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
53324943 | 58682 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 491 | 6 | 1 | 4 | 3.3 | CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684707 | 58682 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 491 | 6 | 1 | 4 | 3.3 | CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | |||
57343818 | 130627 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 7 | 3 | 3 | 5.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1 | nan | |||
CHEMBL3681876 | 130627 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 7 | 3 | 3 | 5.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1 | nan | |||
86767127 | 129408 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 483 | 4 | 1 | 7 | 1.8 | COC1COCCC1NC1CC2OC(=O)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
CHEMBL3671260 | 129408 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 483 | 4 | 1 | 7 | 1.8 | COC1COCCC1NC1CC2OC(=O)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
56671924 | 65745 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 6 | 2 | 5 | 4.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C4CCCCC4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834639 | 65745 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 6 | 2 | 5 | 4.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C4CCCCC4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
44441358 | 149844 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Cl)cc3OC2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL394897 | 149844 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Cl)cc3OC2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
52942863 | 19247 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1290186 | 19247 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | |||
44442581 | 93546 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 507 | 9 | 5 | 5 | 2.5 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1N | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246410 | 93546 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 507 | 9 | 5 | 5 | 2.5 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1N | 10.1016/j.bmcl.2007.07.028 | |||
44442555 | 93724 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 11 | 4 | 4 | 3.6 | CCC(C)(C)NC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247203 | 93724 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 11 | 4 | 4 | 3.6 | CCC(C)(C)NC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44442554 | 93965 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 506 | 11 | 4 | 4 | 3.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL248423 | 93965 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 506 | 11 | 4 | 4 | 3.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
11844595 | 136364 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@]12C=Cc1ccccc12 | 10.1021/jm060439n | |||
CHEMBL373491 | 136364 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@]12C=Cc1ccccc12 | 10.1021/jm060439n | |||
44353395 | 20091 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 333 | 3 | 1 | 2 | 5.0 | Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1Cl | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL130403 | 20091 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 333 | 3 | 1 | 2 | 5.0 | Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1Cl | 10.1016/j.bmcl.2003.10.049 | |||
11635092 | 89823 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL237753 | 89823 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
69212799 | 77974 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL2096789 | 77974 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
56677296 | 65418 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829611 | 65418 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
25256791 | 187689 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL495202 | 187689 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2010.02.072 | |||
10143025 | 93535 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 526 | 10 | 4 | 4 | 4.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246397 | 93535 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 526 | 10 | 4 | 4 | 4.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44444008 | 155043 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 478 | 9 | 1 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL401637 | 155043 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 478 | 9 | 1 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
44395194 | 64765 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 496 | 8 | 1 | 5 | 4.1 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL181918 | 64765 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 496 | 8 | 1 | 5 | 4.1 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
25008679 | 94176 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249607 | 94176 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
24801178 | 156840 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 481 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1 | 10.1021/jm701488f | |||
CHEMBL407145 | 156840 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 481 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1 | 10.1021/jm701488f | |||
44453329 | 155349 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 431 | 7 | 2 | 3 | 3.5 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL403281 | 155349 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 431 | 7 | 2 | 3 | 3.5 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
22310903 | 22612 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1cccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c12 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL132662 | 22612 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1cccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c12 | 10.1016/j.bmcl.2003.10.049 | |||
76325121 | 105239 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115115 | 105239 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
57344309 | 130651 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 7 | 3 | 4 | 4.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | nan | |||
CHEMBL3681899 | 130651 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 7 | 3 | 4 | 4.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | nan | |||
49863201 | 15209 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 536 | 12 | 1 | 4 | 7.2 | CCN(CC)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL1210669 | 15209 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 536 | 12 | 1 | 4 | 7.2 | CCN(CC)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
11663995 | 146826 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 550 | 13 | 1 | 4 | 7.6 | CCN(CC)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL392494 | 146826 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 550 | 13 | 1 | 4 | 7.6 | CCN(CC)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
11567495 | 75197 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036750 | 75197 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
10052388 | 187550 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 7 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C2CC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494541 | 187550 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 7 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C2CC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
22143308 | 187762 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 9 | 5 | 6 | 2.8 | CCSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL495717 | 187762 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 9 | 5 | 6 | 2.8 | CCSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
44573609 | 187551 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2O)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL494542 | 187551 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2O)C1 | 10.1007/s00044-010-9501-4 | |||
10256127 | 73811 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 520 | 10 | 4 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(N)cc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018539 | 73811 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 520 | 10 | 4 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(N)cc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2012.03.007 | |||
44353356 | 117598 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2ccc(-c3ccccc3)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL340072 | 117598 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2ccc(-c3ccccc3)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
11227383 | 77645 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 620 | 11 | 2 | 5 | 6.2 | CC(C)CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088387 | 77645 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 620 | 11 | 2 | 5 | 6.2 | CC(C)CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
71226374 | 86404 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 437 | 3 | 1 | 4 | 3.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314061 | 86404 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 437 | 3 | 1 | 4 | 3.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
44416066 | 79785 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 643 | 8 | 2 | 4 | 5.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)C(F)(F)F | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL211923 | 79785 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 643 | 8 | 2 | 4 | 5.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)C(F)(F)F | 10.1016/j.bmcl.2006.07.011 | |||
22310929 | 168292 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2cccc(F)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL434059 | 168292 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2cccc(F)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
71517402 | 86380 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 535 | 4 | 1 | 5 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313774 | 86380 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 535 | 4 | 1 | 5 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
72946204 | 105250 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 5 | 1 | 7 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115267 | 105250 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 5 | 1 | 7 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
44415904 | 80428 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL214641 | 80428 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
11329328 | 74531 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3cccnc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029411 | 74531 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3cccnc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
44425630 | 86025 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230617 | 86025 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
44444035 | 94285 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 460 | 9 | 2 | 3 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2ccc(O)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL250408 | 94285 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 460 | 9 | 2 | 3 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2ccc(O)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
44353617 | 19663 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL130065 | 19663 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 | 10.1016/j.bmcl.2003.10.049 | |||
57656942 | 75037 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2035000 | 75037 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
22310953 | 23963 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2cccc(C(F)(F)F)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL133748 | 23963 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2cccc(C(F)(F)F)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
44353170 | 21413 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 318 | 3 | 1 | 2 | 4.1 | NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL131493 | 21413 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 318 | 3 | 1 | 2 | 4.1 | NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
44425650 | 86128 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 570 | 9 | 1 | 2 | 8.3 | CCCCCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231143 | 86128 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 570 | 9 | 1 | 2 | 8.3 | CCCCCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
89853102 | 111102 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 552 | 5 | 1 | 8 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2OC(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263260 | 111102 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 552 | 5 | 1 | 8 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2OC(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
44415903 | 81148 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215759 | 81148 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
89823502 | 126312 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2F)C1 | nan | |||
CHEMBL3650362 | 126312 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2F)C1 | nan | |||
56643545 | 130621 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
CHEMBL3681870 | 130621 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
11192346 | 2022 | 57 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
9032 | 2022 | 57 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
CHEMBL2029422 | 2022 | 57 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
46947816 | 65431 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829624 | 65431 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
56664979 | 65741 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 529 | 6 | 2 | 7 | 4.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834635 | 65741 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 529 | 6 | 2 | 7 | 4.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
56671925 | 65747 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 7 | 2 | 7 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834640 | 65747 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 7 | 2 | 7 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
56678508 | 65799 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834794 | 65799 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
44415899 | 80072 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL213058 | 80072 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
44425641 | 86064 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230832 | 86064 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44413258 | 77756 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 446 | 8 | 1 | 2 | 5.5 | CN(C)CCC[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL209063 | 77756 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 446 | 8 | 1 | 2 | 5.5 | CN(C)CCC[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
44425315 | 86246 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 536 | 8 | 2 | 5 | 5.4 | CC(=O)Nc1nc(C(CCN2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL231252 | 86246 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 536 | 8 | 2 | 5 | 5.4 | CC(=O)Nc1nc(C(CCN2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44425319 | 86333 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 727 | 10 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL231340 | 86333 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 727 | 10 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
53318315 | 58671 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 473 | 6 | 1 | 4 | 3.4 | CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684695 | 58671 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 473 | 6 | 1 | 4 | 3.4 | CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | |||
54584109 | 62545 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782379 | 62545 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | |||
10187492 | 147788 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL393267 | 147788 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
69285531 | 121225 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 441 | 8 | 2 | 3 | 4.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577935 | 121225 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 441 | 8 | 2 | 3 | 4.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
10152864 | 187872 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL496432 | 187872 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
44425288 | 86013 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL230507 | 86013 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44425304 | 143365 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL389773 | 143365 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
53326721 | 58491 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683189 | 58491 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2011.01.015 | |||
53326901 | 58680 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 449 | 5 | 1 | 4 | 2.9 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684705 | 58680 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 449 | 5 | 1 | 4 | 2.9 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
57343820 | 68952 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 518 | 7 | 3 | 3 | 5.2 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 | nan | |||
CHEMBL1922816 | 68952 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 518 | 7 | 3 | 3 | 5.2 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 | nan | |||
57343819 | 130624 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 | nan | |||
CHEMBL3681873 | 130624 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 | nan | |||
57344311 | 130653 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 521 | 7 | 3 | 4 | 4.3 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
CHEMBL3681900 | 130653 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 521 | 7 | 3 | 4 | 4.3 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
71719764 | 86383 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 510 | 5 | 2 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313777 | 86383 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 510 | 5 | 2 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
57396832 | 70333 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 525 | 8 | 2 | 5 | 3.1 | CN(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1944773 | 70333 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 525 | 8 | 2 | 5 | 3.1 | CN(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
53320968 | 58666 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 5 | 1 | 4 | 2.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684689 | 58666 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 5 | 1 | 4 | 2.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
44442553 | 93486 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 492 | 10 | 4 | 4 | 2.9 | CCNC(=O)[C@@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)[C@@H](C)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246221 | 93486 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 492 | 10 | 4 | 4 | 2.9 | CCNC(=O)[C@@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)[C@@H](C)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | |||
44442595 | 166406 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCC(C)C)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL427705 | 166406 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCC(C)C)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44444113 | 94177 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249608 | 94177 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
11606411 | 85306 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | |||
CHEMBL226066 | 85306 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | |||
72946384 | 105253 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 546 | 5 | 1 | 8 | 2.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ncccn3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115270 | 105253 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 546 | 5 | 1 | 8 | 2.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ncccn3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
44442583 | 93548 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 3.3 | COc1cc(C)c(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1C | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246412 | 93548 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 3.3 | COc1cc(C)c(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1C | 10.1016/j.bmcl.2007.07.028 | |||
9890559 | 66126 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 462 | 8 | 0 | 4 | 4.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL184053 | 66126 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 462 | 8 | 0 | 4 | 4.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
11273475 | 77644 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 606 | 10 | 2 | 5 | 5.8 | CC(C)Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088386 | 77644 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 606 | 10 | 2 | 5 | 5.8 | CC(C)Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
46884898 | 7715 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1088874 | 7715 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
22310946 | 20753 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2c([N+](=O)[O-])cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL130937 | 20753 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2c([N+](=O)[O-])cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
57344310 | 68934 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL1922794 | 68934 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
15518124 | 138424 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.5 | CN(CCN1CCCCC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL377432 | 138424 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.5 | CN(CCN1CCCCC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 | 10.1016/j.bmcl.2006.04.045 | |||
44425649 | 86127 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231142 | 86127 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
54586021 | 62541 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782375 | 62541 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | |||
44570779 | 183566 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 9 | 4 | 5 | 4.0 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL480036 | 183566 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 9 | 4 | 5 | 4.0 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
57344299 | 68954 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 | nan | |||
CHEMBL1922818 | 68954 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 | nan | |||
11467577 | 77640 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 606 | 8 | 2 | 5 | 5.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088382 | 77640 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 606 | 8 | 2 | 5 | 5.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
44453536 | 97927 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL272542 | 97927 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
22310899 | 22690 | 35 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 285 | 3 | 1 | 2 | 4.0 | O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL132725 | 22690 | 35 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 285 | 3 | 1 | 2 | 4.0 | O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2003.10.049 | |||
89823629 | 126319 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)cc(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650369 | 126319 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)cc(C(F)(F)F)c2)C1 | nan | |||
60148505 | 111108 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263268 | 111108 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
56643545 | 130621 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
CHEMBL3681870 | 130621 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
86767126 | 129407 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 5 | 1 | 6 | 4.1 | COC1COCCC1NC1CC2OC(c3ccccc3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
CHEMBL3671259 | 129407 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 5 | 1 | 6 | 4.1 | COC1COCCC1NC1CC2OC(c3ccccc3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
44415880 | 169337 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL441856 | 169337 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
57396998 | 71012 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml200030q | |||
CHEMBL1951773 | 71012 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml200030q | |||
44425320 | 86133 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 713 | 9 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL231149 | 86133 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 713 | 9 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
44453366 | 158302 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 451 | 6 | 5 | 6 | 1.7 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL408908 | 158302 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 451 | 6 | 5 | 6 | 1.7 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | |||
71768794 | 111101 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 5 | 1 | 6 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263259 | 111101 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 5 | 1 | 6 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
44425286 | 153245 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL397750 | 153245 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44593564 | 187230 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL492564 | 187230 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | |||
44425258 | 168905 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 627 | 9 | 2 | 6 | 6.1 | CC(=O)Nc1nc(C(CCN2CCN(c3ccccc3C)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL438514 | 168905 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 627 | 9 | 2 | 6 | 6.1 | CC(=O)Nc1nc(C(CCN2CCN(c3ccccc3C)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
53322299 | 58672 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 459 | 6 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684696 | 58672 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 459 | 6 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
53326226 | 58684 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 6 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684709 | 58684 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 6 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
56675301 | 65754 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 7 | 3 | 5 | 3.1 | CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834647 | 65754 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 7 | 3 | 5 | 3.1 | CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
44444110 | 154839 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL400483 | 154839 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
11844469 | 78400 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.3 | C[C@H]1CN(CC[C@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 | 10.1021/jm060439n | |||
CHEMBL211092 | 78400 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.3 | C[C@H]1CN(CC[C@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 | 10.1021/jm060439n | |||
89823497 | 126300 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | |||
CHEMBL3650350 | 126300 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | |||
56676473 | 65806 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccn4C)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834850 | 65806 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccn4C)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
44444106 | 94071 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.5 | O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249010 | 94071 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.5 | O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
44395144 | 66991 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.2 | Cc1cccc(C(=O)NCC(=O)NCC2CCCN2Cc2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL186878 | 66991 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.2 | Cc1cccc(C(=O)NCC(=O)NCC2CCCN2Cc2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
44593563 | 193108 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL522688 | 193108 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
46884856 | 8342 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 566 | 8 | 2 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1092921 | 8342 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 566 | 8 | 2 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
89823512 | 126352 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650400 | 126352 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | nan | |||
10414966 | 155116 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ncccn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL402010 | 155116 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ncccn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
89823482 | 126303 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 | nan | |||
CHEMBL3650353 | 126303 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 | nan | |||
70696469 | 75212 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 5 | 1 | 4 | 2.7 | COc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036765 | 75212 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 5 | 1 | 4 | 2.7 | COc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | |||
44425649 | 86127 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231142 | 86127 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
89823499 | 126306 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C)n2)C1 | nan | |||
CHEMBL3650356 | 126306 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C)n2)C1 | nan | |||
44413230 | 139095 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL378658 | 139095 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
89823444 | 126324 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 | nan | |||
CHEMBL3650374 | 126324 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 | nan | |||
44353334 | 117441 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 319 | 3 | 1 | 2 | 4.7 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccccc1Cl | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL339842 | 117441 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 319 | 3 | 1 | 2 | 4.7 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccccc1Cl | 10.1016/j.bmcl.2003.10.049 | |||
57343917 | 130628 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 526 | 7 | 3 | 4 | 4.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCO3)CC1 | nan | |||
CHEMBL3681877 | 130628 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 526 | 7 | 3 | 4 | 4.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCO3)CC1 | nan | |||
54769305 | 86578 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 483 | 6 | 2 | 5 | 4.6 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315920 | 86578 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 483 | 6 | 2 | 5 | 4.6 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
68003962 | 86579 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 3 | 6 | 3.7 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315921 | 86579 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 3 | 6 | 3.7 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
49764446 | 65438 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 7 | 3 | 5 | 3.1 | CN(C)c1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829631 | 65438 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 7 | 3 | 5 | 3.1 | CN(C)c1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | |||
54755560 | 65777 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 8 | 2 | 7 | 3.4 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834721 | 65777 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 8 | 2 | 7 | 3.4 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
44415922 | 141681 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL385540 | 141681 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
24794624 | 179614 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4742683 | 179614 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
162657824 | 181124 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 3 | 4 | 2.9 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4760566 | 181124 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 3 | 4 | 2.9 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
53326701 | 58463 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683068 | 58463 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
44425633 | 86039 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230721 | 86039 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44425648 | 168702 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 540 | 6 | 1 | 2 | 7.1 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL436796 | 168702 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 540 | 6 | 1 | 2 | 7.1 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
44442590 | 93770 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247455 | 93770 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
11553489 | 121219 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 417 | 11 | 4 | 4 | 2.3 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577929 | 121219 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 417 | 11 | 4 | 4 | 2.3 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
11497533 | 89187 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL236722 | 89187 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
11541149 | 146309 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 6 | 3 | 4 | 4.9 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccc(O)cc23)CC1 | 10.1021/jm070902b | |||
CHEMBL392097 | 146309 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 6 | 3 | 4 | 4.9 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccc(O)cc23)CC1 | 10.1021/jm070902b | |||
53323664 | 58689 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 5 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684714 | 58689 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 5 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
54583187 | 62572 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 2.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2O)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782580 | 62572 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 2.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2O)C1 | 10.1016/j.bmcl.2011.01.034 | |||
44425639 | 86063 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 580 | 6 | 1 | 3 | 6.8 | COCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230831 | 86063 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 580 | 6 | 1 | 3 | 6.8 | COCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
54580190 | 62569 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782577 | 62569 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
54582215 | 62558 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782566 | 62558 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
54581190 | 62560 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782568 | 62560 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
162658125 | 181094 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4760108 | 181094 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
57344216 | 130629 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 | nan | |||
CHEMBL3681878 | 130629 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 | nan | |||
71517241 | 86377 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 485 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313771 | 86377 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 485 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
127025460 | 137327 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 4 | 1 | 3 | 5.1 | C[C@H]1CC=C(C(=O)NS(=O)(=O)c2ccccc2)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3752690 | 137327 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 4 | 1 | 3 | 5.1 | C[C@H]1CC=C(C(=O)NS(=O)(=O)c2ccccc2)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
10165716 | 93552 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 10 | 4 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(SC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246417 | 93552 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 10 | 4 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(SC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44442559 | 93729 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 532 | 10 | 4 | 4 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247208 | 93729 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 532 | 10 | 4 | 4 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44442547 | 154890 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 506 | 11 | 3 | 4 | 3.2 | CCNC(=O)[C@H](CCN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL400793 | 154890 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 506 | 11 | 3 | 4 | 3.2 | CCNC(=O)[C@H](CCN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
9873546 | 78035 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
CHEMBL209899 | 78035 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
22310976 | 117045 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2c(Cl)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL339099 | 117045 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2c(Cl)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
71519050 | 86390 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313785 | 86390 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
44395048 | 66159 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 495 | 8 | 3 | 6 | 2.9 | NS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL184256 | 66159 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 495 | 8 | 3 | 6 | 2.9 | NS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
44395062 | 66696 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL185517 | 66696 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
44395028 | 66953 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 4.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL186689 | 66953 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 4.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
44395061 | 66398 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 510 | 8 | 3 | 7 | 3.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL185180 | 66398 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 510 | 8 | 3 | 7 | 3.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
9825735 | 93762 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247405 | 93762 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44444032 | 94106 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 474 | 10 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249183 | 94106 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 474 | 10 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
11844467 | 77909 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.4 | CC(C[C@H](CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)N1CCC(c2ccccc2)CC1 | 10.1021/jm060439n | |||
CHEMBL209423 | 77909 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.4 | CC(C[C@H](CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)N1CCC(c2ccccc2)CC1 | 10.1021/jm060439n | |||
44442540 | 93484 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246218 | 93484 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | |||
46886537 | 8346 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 8 | 1 | 5 | 3.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3ccccc3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1092940 | 8346 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 8 | 1 | 5 | 3.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3ccccc3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
76321527 | 105252 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 551 | 5 | 1 | 8 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115269 | 105252 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 551 | 5 | 1 | 8 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
89823389 | 126338 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650388 | 126338 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | nan | |||
71518407 | 86400 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 4.9 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314057 | 86400 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 4.9 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
10129107 | 188427 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 585 | 9 | 3 | 6 | 3.4 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)=O)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL502248 | 188427 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 585 | 9 | 3 | 6 | 3.4 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)=O)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
44453534 | 97879 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 451 | 7 | 3 | 5 | 2.5 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL272331 | 97879 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 451 | 7 | 3 | 5 | 2.5 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | |||
89823621 | 126317 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 | nan | |||
CHEMBL3650367 | 126317 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 | nan | |||
22143349 | 184075 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 7 | 4 | 5 | 3.6 | CSc1ccc(C(=O)NC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL482387 | 184075 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 7 | 4 | 5 | 3.6 | CSc1ccc(C(=O)NC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
44573411 | 193263 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 6 | 2 | 2 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL523857 | 193263 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 6 | 2 | 2 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCC2)C1 | 10.1007/s00044-010-9501-4 | |||
44453620 | 95534 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 450 | 7 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL257511 | 95534 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 450 | 7 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
44573411 | 193263 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 6 | 2 | 2 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL523857 | 193263 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 6 | 2 | 2 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
70681271 | 73806 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 550 | 13 | 5 | 5 | 3.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(=O)NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018533 | 73806 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 550 | 13 | 5 | 5 | 3.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(=O)NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
69286635 | 121229 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 9 | 2 | 3 | 4.9 | CC(C)CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577939 | 121229 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 9 | 2 | 3 | 4.9 | CC(C)CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
162658125 | 181094 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4760108 | 181094 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
72663455 | 129399 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
CHEMBL3671251 | 129399 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
86767122 | 129403 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.1 | COC1COCCC1NC1CC2OC(C3CC3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
CHEMBL3671255 | 129403 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.1 | COC1COCCC1NC1CC2OC(C3CC3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
71519226 | 86374 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 1 | 5 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(OC(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313768 | 86374 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 1 | 5 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(OC(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
11647276 | 75205 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 412 | 4 | 1 | 3 | 4.3 | CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036758 | 75205 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 412 | 4 | 1 | 3 | 4.3 | CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
46240584 | 83578 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 532 | 6 | 3 | 6 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nc4ccccc4s3)CC2)C1 | 10.1021/ml300260s | |||
CHEMBL2204262 | 83578 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 532 | 6 | 3 | 6 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nc4ccccc4s3)CC2)C1 | 10.1021/ml300260s | |||
56671795 | 65797 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 478 | 6 | 3 | 6 | 4.0 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834792 | 65797 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 478 | 6 | 3 | 6 | 4.0 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
54754967 | 77828 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 7 | 4 | 7 | 3.0 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL2092884 | 77828 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 7 | 4 | 7 | 3.0 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | |||
22143241 | 183248 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 510 | 8 | 3 | 4 | 3.8 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL479642 | 183248 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 510 | 8 | 3 | 4 | 3.8 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.062 | |||
44425634 | 142016 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL387587 | 142016 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44425277 | 85957 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 674 | 10 | 2 | 5 | 8.1 | O=C(Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL230165 | 85957 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 674 | 10 | 2 | 5 | 8.1 | O=C(Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | |||
44442592 | 153681 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 5 | 5 | 3.3 | CNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL398134 | 153681 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 5 | 5 | 3.3 | CNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
71768688 | 111097 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263255 | 111097 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
71768725 | 111100 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263258 | 111100 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
44571257 | 191092 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 9 | 3 | 4 | 4.3 | CC(C)c1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL518772 | 191092 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 9 | 3 | 4 | 4.3 | CC(C)c1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
71745103 | 126360 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650408 | 126360 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
11512375 | 154667 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 5.2 | COc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | |||
CHEMBL399617 | 154667 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 5.2 | COc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | |||
10227655 | 73711 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 480 | 9 | 5 | 5 | 2.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(C)(C)O)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018377 | 73711 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 480 | 9 | 5 | 5 | 2.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(C)(C)O)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
44415958 | 80497 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 578 | 7 | 1 | 2 | 8.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL214747 | 80497 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 578 | 7 | 1 | 2 | 8.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 | 10.1016/j.bmcl.2006.07.011 | |||
44442575 | 93542 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 570 | 9 | 4 | 4 | 3.7 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246405 | 93542 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 570 | 9 | 4 | 4 | 3.7 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
25010616 | 94149 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249413 | 94149 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
25007996 | 94151 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249415 | 94151 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
11844209 | 81081 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 572 | 8 | 1 | 3 | 7.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccsc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
CHEMBL215515 | 81081 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 572 | 8 | 1 | 3 | 7.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccsc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
127028590 | 137428 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 284 | 2 | 1 | 1 | 4.2 | C[C@@]1(c2cccc(C(F)(F)F)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753478 | 137428 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 284 | 2 | 1 | 1 | 4.2 | C[C@@]1(c2cccc(C(F)(F)F)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | |||
89823481 | 126305 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 582 | 5 | 1 | 5 | 5.4 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)ccn4)C3)CC2)c1 | nan | |||
CHEMBL3650355 | 126305 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 582 | 5 | 1 | 5 | 5.4 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)ccn4)C3)CC2)c1 | nan | |||
89823459 | 126332 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)cc2C(F)(F)F)C1 | nan | |||
CHEMBL3650382 | 126332 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)cc2C(F)(F)F)C1 | nan | |||
89823431 | 126333 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2C)C1 | nan | |||
CHEMBL3650383 | 126333 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2C)C1 | nan | |||
89823495 | 126339 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(Cl)c2C#N)C1 | nan | |||
CHEMBL3650389 | 126339 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(Cl)c2C#N)C1 | nan | |||
44395256 | 65467 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 4.2 | Cc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL183001 | 65467 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 4.2 | Cc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | |||
44593554 | 188686 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CCC(NC(=O)OCc3ccccc3)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL504065 | 188686 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CCC(NC(=O)OCc3ccccc3)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
90656019 | 111106 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 546 | 5 | 1 | 7 | 1.6 | COC1COCCC1N[C@@H]1C[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263266 | 111106 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 546 | 5 | 1 | 7 | 1.6 | COC1COCCC1N[C@@H]1C[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
22310943 | 24512 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2ccc([N+](=O)[O-])cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL134230 | 24512 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2ccc([N+](=O)[O-])cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
10348168 | 95459 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 576 | 6 | 1 | 4 | 6.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(Cl)nn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL257159 | 95459 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 576 | 6 | 1 | 4 | 6.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(Cl)nn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
44425317 | 168856 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 726 | 10 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL438128 | 168856 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 726 | 10 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
44453330 | 95500 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 483 | 6 | 2 | 3 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL257316 | 95500 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 483 | 6 | 2 | 3 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
22143225 | 183563 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CCC(N)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL480035 | 183563 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CCC(N)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
11620726 | 90638 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL238937 | 90638 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
11620726 | 90638 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL238937 | 90638 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
127025448 | 137439 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 248 | 2 | 1 | 1 | 3.5 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)cc2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753563 | 137439 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 248 | 2 | 1 | 1 | 3.5 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)cc2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
54768835 | 86591 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 3 | 7 | 3.6 | Nc1cccnc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315933 | 86591 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 3 | 7 | 3.6 | Nc1cccnc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | |||
11192346 | 2022 | 57 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
9032 | 2022 | 57 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
CHEMBL2029422 | 2022 | 57 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
57656657 | 75207 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036760 | 75207 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
57656641 | 75220 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 3.3 | CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036775 | 75220 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 3.3 | CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
53322810 | 58470 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683075 | 58470 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
53326721 | 58491 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683189 | 58491 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2011.01.015 | |||
10162844 | 73712 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 480 | 10 | 5 | 5 | 2.7 | CC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018378 | 73712 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 480 | 10 | 5 | 5 | 2.7 | CC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
52944966 | 19038 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 579 | 9 | 2 | 4 | 5.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1288324 | 19038 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 579 | 9 | 2 | 4 | 5.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 | 10.1016/j.bmcl.2010.10.020 | |||
44425316 | 142357 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 712 | 9 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL388869 | 142357 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 712 | 9 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
53320350 | 58673 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 6 | 1 | 5 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684697 | 58673 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 6 | 1 | 5 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
44425646 | 86098 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 528 | 6 | 1 | 2 | 7.1 | CCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231038 | 86098 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 528 | 6 | 1 | 2 | 7.1 | CCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44425653 | 86227 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231246 | 86227 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2007.07.028 | |||
785 | 3773 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2007.07.028 | |||
53326645 | 58683 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 477 | 6 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684708 | 58683 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 477 | 6 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
53324944 | 58685 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 457 | 5 | 1 | 4 | 3.0 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684710 | 58685 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 457 | 5 | 1 | 4 | 3.0 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
44425631 | 142073 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 564 | 5 | 1 | 2 | 7.6 | CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL388007 | 142073 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 564 | 5 | 1 | 2 | 7.6 | CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
89823661 | 126342 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 5 | 1 | 5 | 4.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650391 | 126342 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 5 | 1 | 5 | 4.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | |||
54583185 | 62562 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782570 | 62562 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
89823581 | 126359 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650407 | 126359 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
72663455 | 129399 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
CHEMBL3671251 | 129399 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
71518574 | 86389 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313784 | 86389 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
11632418 | 75195 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036748 | 75195 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
46241720 | 83558 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 501 | 6 | 3 | 6 | 2.3 | N#Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
CHEMBL2204242 | 83558 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 501 | 6 | 3 | 6 | 2.3 | N#Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
135981707 | 65788 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNC3=NC(Cc4ccccc4)c4ccc(C(F)(F)F)cc43)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834783 | 65788 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNC3=NC(Cc4ccccc4)c4ccc(C(F)(F)F)cc43)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
44441359 | 93679 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 4.2 | Cc1ccc2c(c1)OCC(C(=O)Nc1ccc(C[N+](C)(C)C3CCOCC3)cc1)=C2 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL246933 | 93679 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 4.2 | Cc1ccc2c(c1)OCC(C(=O)Nc1ccc(C[N+](C)(C)C3CCOCC3)cc1)=C2 | 10.1016/j.bmcl.2007.01.115 | |||
10206776 | 154922 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 10 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL401009 | 154922 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 10 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
22310896 | 117449 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL339851 | 117449 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
12093170 | 871 | 31 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.7b01844 | |||
9431 | 871 | 31 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.7b01844 | |||
CHEMBL4519152 | 871 | 31 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.7b01844 | |||
69315675 | 73809 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 621 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CN(Cc1ccc(C)cc1C)C(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018537 | 73809 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 621 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CN(Cc1ccc(C)cc1C)C(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | |||
44442570 | 93734 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 556 | 9 | 4 | 4 | 3.4 | CC(C)(C)NC(=O)[C@H](CNCc1ccc(Br)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247214 | 93734 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 556 | 9 | 4 | 4 | 3.4 | CC(C)(C)NC(=O)[C@H](CNCc1ccc(Br)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
261407 | 116562 | 59 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 251 | 3 | 1 | 2 | 3.4 | O=C(O)c1cc2ccccc2n1Cc1ccccc1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL336399 | 116562 | 59 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 251 | 3 | 1 | 2 | 3.4 | O=C(O)c1cc2ccccc2n1Cc1ccccc1 | 10.1016/j.bmcl.2003.10.049 | |||
44395104 | 66697 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 3.7 | Cc1csc(C(=O)NNC(=O)CN2CCC(NCCC(c3ccccc3)c3ccccc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL185518 | 66697 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 3.7 | Cc1csc(C(=O)NNC(=O)CN2CCC(NCCC(c3ccccc3)c3ccccc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
18426157 | 123899 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 3.2 | Cc1cccc(C(=O)NCC(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL362780 | 123899 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 3.2 | Cc1cccc(C(=O)NCC(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
57656887 | 75210 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036763 | 75210 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
10239671 | 187909 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 543 | 8 | 3 | 6 | 3.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL496632 | 187909 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 543 | 8 | 3 | 6 | 3.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
44416274 | 158552 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL409162 | 158552 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
46842085 | 8235 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 572 | 10 | 2 | 4 | 4.5 | CCCc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1092294 | 8235 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 572 | 10 | 2 | 4 | 4.5 | CCCc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | |||
44573450 | 187521 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL494399 | 187521 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 | 10.1007/s00044-010-9501-4 | |||
46842381 | 8234 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 558 | 9 | 2 | 4 | 4.1 | CCc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1092293 | 8234 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 558 | 9 | 2 | 4 | 4.1 | CCc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | |||
53324139 | 58457 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683062 | 58457 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
10346048 | 78232 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL210606 | 78232 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.04.045 | |||
44573450 | 187521 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494399 | 187521 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
57344217 | 130630 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 564 | 7 | 3 | 5 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OC(F)(F)O3)CC1 | nan | |||
CHEMBL3681879 | 130630 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 564 | 7 | 3 | 5 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OC(F)(F)O3)CC1 | nan | |||
72946775 | 105233 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 597 | 7 | 2 | 8 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCNC(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115109 | 105233 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 597 | 7 | 2 | 8 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCNC(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
46241717 | 83565 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 8 | 3 | 6 | 2.9 | CCOc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
CHEMBL2204249 | 83565 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 8 | 3 | 6 | 2.9 | CCOc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
46240484 | 83577 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 3 | 6 | 2.8 | Cc1cnc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | |||
CHEMBL2204261 | 83577 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 3 | 6 | 2.8 | Cc1cnc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | |||
56662695 | 65803 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 7 | 2 | 7 | 4.6 | CCc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834798 | 65803 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 7 | 2 | 7 | 4.6 | CCc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | |||
11669935 | 58452 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 467 | 5 | 1 | 4 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683055 | 58452 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 467 | 5 | 1 | 4 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
44425276 | 151324 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 654 | 9 | 2 | 5 | 7.8 | CC(C)(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL396101 | 151324 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 654 | 9 | 2 | 5 | 7.8 | CC(C)(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
70689909 | 74534 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 3 | 6 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3nccs3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029414 | 74534 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 3 | 6 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3nccs3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
57402219 | 71006 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | |||
CHEMBL1951766 | 71006 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | |||
53321503 | 58490 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 516 | 8 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683188 | 58490 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 516 | 8 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
54585107 | 62559 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782567 | 62559 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
72946205 | 105240 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115116 | 105240 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
44453327 | 95093 | 25 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL255408 | 95093 | 25 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
70691783 | 73699 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 493 | 12 | 4 | 4 | 3.9 | CCCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018364 | 73699 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 493 | 12 | 4 | 4 | 3.9 | CCCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
57402124 | 70521 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.8 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1947041 | 70521 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.8 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
10346048 | 78232 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL210606 | 78232 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | |||
44441356 | 96702 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 4.6 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Br)cc3OC2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL264108 | 96702 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 4.6 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Br)cc3OC2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
44453327 | 95093 | 25 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL255408 | 95093 | 25 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
44444111 | 94115 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249209 | 94115 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
90656022 | 111116 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2cccc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263276 | 111116 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2cccc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
10346048 | 78232 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
CHEMBL210606 | 78232 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
11670910 | 88620 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL235657 | 88620 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
71519225 | 86373 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 423 | 4 | 1 | 5 | 2.8 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(C#N)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313767 | 86373 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 423 | 4 | 1 | 5 | 2.8 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(C#N)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
49763568 | 65414 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829606 | 65414 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
44444007 | 93997 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 428 | 9 | 1 | 2 | 5.7 | O=C(/C=C/c1ccc(F)cc1)NCCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL248641 | 93997 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 428 | 9 | 1 | 2 | 5.7 | O=C(/C=C/c1ccc(F)cc1)NCCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
11670910 | 88620 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL235657 | 88620 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
122181146 | 121832 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 544 | 7 | 1 | 4 | 5.7 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | |||
CHEMBL3589841 | 121832 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 544 | 7 | 1 | 4 | 5.7 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | |||
44439159 | 91979 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 522 | 11 | 1 | 4 | 6.8 | CN(C)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL241501 | 91979 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 522 | 11 | 1 | 4 | 6.8 | CN(C)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
49863200 | 15208 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 508 | 10 | 1 | 4 | 6.4 | CN(C)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL1210668 | 15208 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 508 | 10 | 1 | 4 | 6.4 | CN(C)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
25268803 | 151876 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 383 | 6 | 1 | 2 | 4.2 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL396571 | 151876 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 383 | 6 | 1 | 2 | 4.2 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL11359 | 9778 | 0 | None | -2 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | None | nan | |||||
89823461 | 126315 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(Cl)c2)C1 | nan | |||
CHEMBL3650365 | 126315 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(Cl)c2)C1 | nan | |||
44425247 | 166293 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 585 | 8 | 2 | 6 | 5.7 | Cc1ccccc1N1CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL427110 | 166293 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 585 | 8 | 2 | 6 | 5.7 | Cc1ccccc1N1CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC1 | 10.1016/j.bmcl.2006.10.059 | |||
52943756 | 19288 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1290412 | 19288 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | |||
44425320 | 86133 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 713 | 9 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL231149 | 86133 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 713 | 9 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
56643545 | 130621 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
CHEMBL3681870 | 130621 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
44573537 | 193231 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2Cc3ccccc3C2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL523696 | 193231 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2Cc3ccccc3C2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
44573538 | 193264 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 526 | 6 | 2 | 2 | 6.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc3C2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL523861 | 193264 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 526 | 6 | 2 | 2 | 6.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc3C2)C1 | 10.1007/s00044-010-9501-4 | |||
57392725 | 67864 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 9 | 2 | 3 | 5.6 | O=C(NCCCCN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.013 | |||
CHEMBL1910162 | 67864 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 9 | 2 | 3 | 5.6 | O=C(NCCCCN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.013 | |||
46885213 | 8458 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1093802 | 8458 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
68004011 | 86585 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 530 | 7 | 3 | 8 | 3.1 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315927 | 86585 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 530 | 7 | 3 | 8 | 3.1 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2012.12.017 | |||
54769752 | 86605 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1nncc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2316210 | 86605 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1nncc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
57344296 | 68949 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | |||
CHEMBL1922813 | 68949 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | |||
10278257 | 73707 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018373 | 73707 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
10207590 | 73708 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 507 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018374 | 73708 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 507 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
71452241 | 83566 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 574 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OCC(F)(F)F)nc3)CC2)C1 | 10.1021/ml300260s | |||
CHEMBL2204250 | 83566 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 574 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OCC(F)(F)F)nc3)CC2)C1 | 10.1021/ml300260s | |||
56657929 | 65790 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 485 | 6 | 2 | 5 | 4.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834785 | 65790 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 485 | 6 | 2 | 5 | 4.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
56659197 | 65802 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 2 | 7 | 4.3 | Cc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834797 | 65802 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 2 | 7 | 4.3 | Cc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | |||
44425637 | 85985 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230405 | 85985 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
44425317 | 168856 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 726 | 10 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL438128 | 168856 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 726 | 10 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
508869 | 95438 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 446 | 7 | 3 | 4 | 3.1 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL257066 | 95438 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 446 | 7 | 3 | 4 | 3.1 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
44442587 | 93807 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247608 | 93807 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44442593 | 147198 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL392814 | 147198 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
10278257 | 73707 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)C)c(C)c1 | 10.1021/ml500505q | |||
CHEMBL2018373 | 73707 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)C)c(C)c1 | 10.1021/ml500505q | |||
53322812 | 58476 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 2.3 | COC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683081 | 58476 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 2.3 | COC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
54585109 | 62571 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 468 | 5 | 1 | 5 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782579 | 62571 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 468 | 5 | 1 | 5 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.034 | |||
89823606 | 126323 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | |||
CHEMBL3650373 | 126323 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | |||
72946982 | 105227 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115103 | 105227 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
57344218 | 68946 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 484 | 7 | 3 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | nan | |||
CHEMBL1922806 | 68946 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 484 | 7 | 3 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | nan | |||
46241719 | 83585 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 3 | 5 | 2.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(F)nc3)CC2)C1 | 10.1021/ml300260s | |||
CHEMBL2204270 | 83585 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 3 | 5 | 2.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(F)nc3)CC2)C1 | 10.1021/ml300260s | |||
46241829 | 65412 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829603 | 65412 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
10165042 | 93551 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 3.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(OC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246416 | 93551 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 3.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(OC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44442556 | 93725 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 11 | 5 | 5 | 2.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)CO)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247204 | 93725 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 11 | 5 | 5 | 2.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)CO)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
90656026 | 111119 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 527 | 7 | 1 | 7 | 2.4 | COC1COCCC1N(CCCO)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263281 | 111119 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 527 | 7 | 1 | 7 | 2.4 | COC1COCCC1N(CCCO)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
44444001 | 94510 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 450 | 8 | 1 | 2 | 5.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL251621 | 94510 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 450 | 8 | 1 | 2 | 5.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
23441058 | 66269 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 429 | 8 | 0 | 4 | 5.3 | O=[N+]([O-])c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL184688 | 66269 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 429 | 8 | 0 | 4 | 5.3 | O=[N+]([O-])c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
44395160 | 123806 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 398 | 9 | 1 | 3 | 4.5 | O=C(CCCC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL362340 | 123806 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 398 | 9 | 1 | 3 | 4.5 | O=C(CCCC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
44415973 | 81053 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CC[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215394 | 81053 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CC[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
44425654 | 86228 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231247 | 86228 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44573409 | 187392 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 6 | 2 | 2 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL493575 | 187392 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 6 | 2 | 2 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
44573409 | 187392 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 6 | 2 | 2 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL493575 | 187392 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 6 | 2 | 2 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCC2)C1 | 10.1007/s00044-010-9501-4 | |||
89823470 | 126307 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 | nan | |||
CHEMBL3650357 | 126307 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 | nan | |||
10153373 | 172594 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 627 | 13 | 2 | 6 | 5.4 | CCCN(CCC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL448989 | 172594 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 627 | 13 | 2 | 6 | 5.4 | CCCN(CCC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | |||
86767120 | 129401 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | nan | |||
CHEMBL3671253 | 129401 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | nan | |||
44448915 | 95070 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 5.0 | CC(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL255302 | 95070 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 5.0 | CC(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
44449054 | 155189 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 553 | 6 | 2 | 3 | 5.6 | O=C(/C=C/c1ccc(F)c(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL402442 | 155189 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 553 | 6 | 2 | 3 | 5.6 | O=C(/C=C/c1ccc(F)c(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
162666730 | 182272 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4783861 | 182272 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
71768722 | 111110 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263270 | 111110 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
10239991 | 188445 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL502516 | 188445 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
10120907 | 73722 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018388 | 73722 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 | 10.1016/j.bmcl.2012.03.007 | |||
10007642 | 19107 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1289203 | 19107 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
89844945 | 109807 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 518 | 7 | 1 | 6 | 2.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)n3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233179 | 109807 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 518 | 7 | 1 | 6 | 2.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)n3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | |||
68767078 | 121234 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | |||
CHEMBL3577944 | 121234 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | |||
68768752 | 121236 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](C)C1 | 10.1021/ml500505q | |||
CHEMBL3577947 | 121236 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](C)C1 | 10.1021/ml500505q | |||
11756884 | 19087 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1289083 | 19087 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
10007642 | 19107 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1289203 | 19107 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
9986630 | 168797 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 641 | 9 | 2 | 5 | 6.9 | CN(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL437552 | 168797 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 641 | 9 | 2 | 5 | 6.9 | CN(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
11627639 | 94931 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL254355 | 94931 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
57396999 | 71016 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | |||
CHEMBL1951777 | 71016 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | |||
22143258 | 183877 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL481010 | 183877 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
44593555 | 188782 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL505722 | 188782 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
70691785 | 73725 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 606 | 12 | 6 | 6 | 2.9 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCNCC1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018391 | 73725 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 606 | 12 | 6 | 6 | 2.9 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCNCC1 | 10.1016/j.bmcl.2012.03.007 | |||
69285794 | 121227 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 455 | 9 | 2 | 3 | 4.6 | CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577937 | 121227 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 455 | 9 | 2 | 3 | 4.6 | CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
122178128 | 121230 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 5.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 | 10.1021/ml500505q | |||
CHEMBL3577940 | 121230 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 5.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 | 10.1021/ml500505q | |||
11555827 | 147115 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 5.2 | COc1cccc2c(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 | 10.1021/jm070902b | |||
CHEMBL392748 | 147115 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 5.2 | COc1cccc2c(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 | 10.1021/jm070902b | |||
42606792 | 109806 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233178 | 109806 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | |||
57395218 | 71008 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 | 10.1021/ml200030q | |||
CHEMBL1951769 | 71008 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 | 10.1021/ml200030q | |||
44425279 | 142015 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL387583 | 142015 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
11527661 | 2019 | 30 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | |||
9045 | 2019 | 30 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | |||
CHEMBL1963131 | 2019 | 30 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | |||
69285794 | 121227 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 455 | 9 | 2 | 3 | 4.6 | CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577937 | 121227 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 455 | 9 | 2 | 3 | 4.6 | CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
68767078 | 121234 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | |||
CHEMBL3577944 | 121234 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | |||
44583282 | 172693 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL450231 | 172693 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
11597 | 673 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | |||
23725180 | 673 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4781426 | 673 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | |||
11421840 | 77636 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 578 | 9 | 2 | 5 | 5.2 | CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088379 | 77636 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 578 | 9 | 2 | 5 | 5.2 | CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
50992246 | 58469 | 2 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683074 | 58469 | 2 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
50992246 | 58469 | 2 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683074 | 58469 | 2 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
24794656 | 180874 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4757452 | 180874 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
52941377 | 19327 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1290637 | 19327 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
53326386 | 58171 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1681819 | 58171 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
44573608 | 187549 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL494540 | 187549 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | |||
54771978 | 86604 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 6 | 3 | 7 | 3.8 | O=C(CNc1nccc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2316209 | 86604 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 6 | 3 | 7 | 3.8 | O=C(CNc1nccc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
44595711 | 137319 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3752627 | 137319 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
24794624 | 179614 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4742683 | 179614 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
57400160 | 130637 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 539 | 7 | 3 | 3 | 5.6 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL3681885 | 130637 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 539 | 7 | 3 | 3 | 5.6 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
86767125 | 129406 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 511 | 6 | 1 | 6 | 3.5 | CCCC1CC2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)CC(NC3CCOCC3OC)CC2O1 | nan | |||
CHEMBL3671258 | 129406 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 511 | 6 | 1 | 6 | 3.5 | CCCC1CC2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)CC(NC3CCOCC3OC)CC2O1 | nan | |||
44449030 | 95144 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 6.1 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL255680 | 95144 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 6.1 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
44449174 | 95454 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 553 | 7 | 1 | 4 | 5.6 | CC(=O)OCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL257143 | 95454 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 553 | 7 | 1 | 4 | 5.6 | CC(=O)OCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
44448948 | 155244 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 4.9 | COC(=O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL402749 | 155244 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 4.9 | COC(=O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
71517242 | 86378 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](Cl)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313772 | 86378 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](Cl)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
11226430 | 73737 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 536 | 14 | 5 | 5 | 4.9 | CCCNc1cc(NC(=O)CC(=O)N[C@@H](CNCc2ccc(C)cc2C)[C@@H](O)CCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018403 | 73737 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 536 | 14 | 5 | 5 | 4.9 | CCCNc1cc(NC(=O)CC(=O)N[C@@H](CNCc2ccc(C)cc2C)[C@@H](O)CCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
49764322 | 65439 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 7 | 3 | 5 | 3.1 | COc1ccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829632 | 65439 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 7 | 3 | 5 | 3.1 | COc1ccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | |||
11502371 | 153126 | 3 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL397647 | 153126 | 3 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
44425636 | 85946 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 590 | 6 | 1 | 2 | 8.0 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230078 | 85946 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 590 | 6 | 1 | 2 | 8.0 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
44425629 | 86024 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230616 | 86024 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
44425241 | 86026 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL230624 | 86026 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44453407 | 95435 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 7 | 3 | 5 | 2.4 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL257063 | 95435 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 7 | 3 | 5 | 2.4 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
44453442 | 97688 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 434 | 6 | 3 | 4 | 2.7 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL271290 | 97688 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 434 | 6 | 3 | 4 | 2.7 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
44442599 | 93647 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246804 | 93647 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
69285465 | 121228 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 9 | 2 | 4 | 3.5 | COCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577938 | 121228 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 9 | 2 | 4 | 3.5 | COCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
11699541 | 146311 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 5.3 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL392098 | 146311 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 5.3 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 | 10.1021/jm070902b | |||
11605867 | 166764 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 507 | 6 | 2 | 3 | 5.0 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL428378 | 166764 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 507 | 6 | 2 | 3 | 5.0 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
54582217 | 62568 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782576 | 62568 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
71517576 | 86367 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](OC)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313761 | 86367 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](OC)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
71518898 | 86388 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 4 | 1 | 5 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(Br)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313783 | 86388 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 4 | 1 | 5 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(Br)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
56675302 | 65755 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 8 | 3 | 5 | 3.3 | C=CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834648 | 65755 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 8 | 3 | 5 | 3.3 | C=CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
56669631 | 65807 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834851 | 65807 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2011.08.074 | |||
25268081 | 93517 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 423 | 5 | 1 | 2 | 5.7 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCSCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL246313 | 93517 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 423 | 5 | 1 | 2 | 5.7 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCSCC1 | 10.1016/j.bmcl.2007.01.115 | |||
9934977 | 166353 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 482 | 7 | 3 | 4 | 3.7 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL427396 | 166353 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 482 | 7 | 3 | 4 | 3.7 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2006.04.045 | |||
44442560 | 154924 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 490 | 11 | 4 | 4 | 2.6 | C=CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL401011 | 154924 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 490 | 11 | 4 | 4 | 2.6 | C=CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
11548199 | 89920 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL237967 | 89920 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
11548199 | 89920 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL237967 | 89920 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
11548199 | 89920 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL237967 | 89920 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
42632863 | 93354 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.3 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL245497 | 93354 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.3 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
44444104 | 94069 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 5 | 0 | 2 | 5.8 | O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249008 | 94069 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 5 | 0 | 2 | 5.8 | O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
10957890 | 23092 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 310 | 3 | 1 | 3 | 3.9 | N#Cc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL133063 | 23092 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 310 | 3 | 1 | 3 | 3.9 | N#Cc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | |||
44415992 | 80607 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215093 | 80607 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
44453300 | 97434 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 3.5 | CSc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL270005 | 97434 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 3.5 | CSc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
44441382 | 153056 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 4.7 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL397595 | 153056 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 4.7 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
11706775 | 145766 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL391668 | 145766 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
11706775 | 145766 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL391668 | 145766 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
44453562 | 155652 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 431 | 7 | 3 | 6 | 2.0 | Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL404837 | 155652 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 431 | 7 | 3 | 6 | 2.0 | Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
56678640 | 65756 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 488 | 7 | 4 | 6 | 1.7 | CS(=O)(=O)N[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834650 | 65756 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 488 | 7 | 4 | 6 | 1.7 | CS(=O)(=O)N[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
54768836 | 86594 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 508 | 6 | 2 | 6 | 4.5 | N#Cc1ccccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315936 | 86594 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 508 | 6 | 2 | 6 | 4.5 | N#Cc1ccccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | |||
72947193 | 105229 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 6 | 1 | 7 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115105 | 105229 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 6 | 1 | 7 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
10585 | 1078 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | |||
145996522 | 1078 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4531005 | 1078 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | |||
57401954 | 68957 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CC1 | nan | |||
CHEMBL1922822 | 68957 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CC1 | nan | |||
57656871 | 75225 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 413 | 3 | 2 | 4 | 2.0 | CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036780 | 75225 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 413 | 3 | 2 | 4 | 2.0 | CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
49764447 | 65420 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829613 | 65420 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
54755801 | 65758 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 559 | 8 | 3 | 8 | 3.7 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834652 | 65758 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 559 | 8 | 3 | 8 | 3.7 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
24801525 | 97607 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | |||
CHEMBL270906 | 97607 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | |||
22143104 | 188056 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 7 | 5 | 5 | 2.3 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CNCCC1NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL497780 | 188056 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 7 | 5 | 5 | 2.3 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CNCCC1NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
44573488 | 187677 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 482 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL495165 | 187677 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 482 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSC2)C1 | 10.1007/s00044-010-9501-4 | |||
71517575 | 86386 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](OC)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313780 | 86386 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](OC)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
49764700 | 65436 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 6 | 3 | 4 | 3.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829629 | 65436 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 6 | 3 | 4 | 3.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
127025461 | 137383 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 348 | 3 | 2 | 2 | 4.0 | C[C@@]1(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](CO)CC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753161 | 137383 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 348 | 3 | 2 | 2 | 4.0 | C[C@@]1(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](CO)CC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | |||
11692057 | 145487 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.7 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL391460 | 145487 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.7 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
23656585 | 147629 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL393135 | 147629 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
44444009 | 93998 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 424 | 10 | 1 | 3 | 5.0 | COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL248642 | 93998 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 424 | 10 | 1 | 3 | 5.0 | COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
23441036 | 67209 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 510 | 8 | 3 | 7 | 3.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(O)cc3)c3ccc(O)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL187856 | 67209 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 510 | 8 | 3 | 7 | 3.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(O)cc3)c3ccc(O)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
24801180 | 98038 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | |||
CHEMBL273079 | 98038 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | |||
11577400 | 58453 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 535 | 5 | 1 | 4 | 5.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683056 | 58453 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 535 | 5 | 1 | 4 | 5.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
71768899 | 111122 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 543 | 4 | 1 | 5 | 4.5 | O=C(O)c1ccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)cc1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263284 | 111122 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 543 | 4 | 1 | 5 | 4.5 | O=C(O)c1ccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)cc1 | 10.1016/j.bmcl.2014.03.036 | |||
44415927 | 80853 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215271 | 80853 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
11364218 | 73802 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1OC | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018529 | 73802 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1OC | 10.1016/j.bmcl.2012.03.007 | |||
24801179 | 156638 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 4.3 | Cc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
CHEMBL406925 | 156638 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 4.3 | Cc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
10458152 | 77799 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL209267 | 77799 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
4485 | 69377 | 118 | None | -1 | 8 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | |||
CHEMBL193 | 69377 | 118 | None | -1 | 8 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | |||
68003782 | 86581 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccns3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315923 | 86581 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccns3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
68004010 | 86584 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 548 | 7 | 3 | 8 | 4.3 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315926 | 86584 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 548 | 7 | 3 | 8 | 4.3 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2012.12.017 | |||
71530223 | 86370 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313764 | 86370 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
49764196 | 65440 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 519 | 6 | 3 | 6 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829633 | 65440 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 519 | 6 | 3 | 6 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
44573487 | 192632 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 6.0 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL521697 | 192632 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 6.0 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
53320171 | 58474 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683079 | 58474 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
72948000 | 105222 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 601 | 6 | 2 | 6 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115099 | 105222 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 601 | 6 | 2 | 6 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
67774351 | 130636 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 7 | 3 | 3 | 5.5 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
CHEMBL3681884 | 130636 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 7 | 3 | 3 | 5.5 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
46241827 | 83562 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.8 | COc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1C | 10.1021/ml300260s | |||
CHEMBL2204246 | 83562 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.8 | COc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1C | 10.1021/ml300260s | |||
10458152 | 77799 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1021/jm060439n | |||
CHEMBL209267 | 77799 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1021/jm060439n | |||
44353396 | 115247 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 313 | 3 | 1 | 2 | 4.7 | Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1C | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL334766 | 115247 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 313 | 3 | 1 | 2 | 4.7 | Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1C | 10.1016/j.bmcl.2003.10.049 | |||
10203447 | 154626 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL399328 | 154626 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
10203447 | 154626 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL399328 | 154626 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44444103 | 94034 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 470 | 5 | 0 | 2 | 6.4 | Cc1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL248814 | 94034 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 470 | 5 | 0 | 2 | 6.4 | Cc1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
90656020 | 111107 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.9 | COC1COCCC1N[C@@H]1C[C@H]2N(C(=O)OCc3ccccc3)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263267 | 111107 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.9 | COC1COCCC1N[C@@H]1C[C@H]2N(C(=O)OCc3ccccc3)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
22310839 | 21739 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.1 | CS(=O)(=O)c1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL131885 | 21739 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.1 | CS(=O)(=O)c1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
89823443 | 126341 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C#N)C1 | nan | |||
CHEMBL3650390 | 126341 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C#N)C1 | nan | |||
44395097 | 67064 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 385 | 7 | 2 | 3 | 2.9 | O=C(CCNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL187237 | 67064 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 385 | 7 | 2 | 3 | 2.9 | O=C(CCNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
44442541 | 154818 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL400382 | 154818 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | |||
44439155 | 91972 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL241497 | 91972 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
53317526 | 58471 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 5 | 1 | 6 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683076 | 58471 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 5 | 1 | 6 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
46842235 | 7834 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 598 | 8 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1089629 | 7834 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 598 | 8 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
44453298 | 155237 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL402723 | 155237 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
44570780 | 184043 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 7 | 4 | 5 | 3.0 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL482201 | 184043 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 7 | 4 | 5 | 3.0 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
44425649 | 86127 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231142 | 86127 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
44425305 | 86062 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 555 | 8 | 1 | 4 | 6.9 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1cscn1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL230828 | 86062 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 555 | 8 | 1 | 4 | 6.9 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1cscn1 | 10.1016/j.bmcl.2006.10.059 | |||
69285465 | 121228 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 457 | 9 | 2 | 4 | 3.5 | COCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577938 | 121228 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 457 | 9 | 2 | 4 | 3.5 | COCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
68003997 | 86598 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 530 | 6 | 3 | 8 | 3.6 | N#Cc1cc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315940 | 86598 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 530 | 6 | 3 | 8 | 3.6 | N#Cc1cc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 | 10.1016/j.bmcl.2012.12.017 | |||
57344298 | 68950 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 | nan | |||
CHEMBL1922814 | 68950 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 | nan | |||
71517240 | 86376 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 485 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313770 | 86376 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 485 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
56659295 | 65808 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 503 | 7 | 2 | 7 | 4.2 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834852 | 65808 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 503 | 7 | 2 | 7 | 4.2 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | |||
44425318 | 150309 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 732 | 10 | 2 | 6 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL395289 | 150309 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 732 | 10 | 2 | 6 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
44442586 | 93809 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247621 | 93809 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44442588 | 93916 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL248188 | 93916 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
24801526 | 97614 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | |||
CHEMBL270959 | 97614 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | |||
72947413 | 105254 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115271 | 105254 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
57344229 | 130638 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 542 | 6 | 4 | 3 | 6.5 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | |||
CHEMBL3681886 | 130638 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 542 | 6 | 4 | 3 | 6.5 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | |||
54755562 | 65785 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 549 | 8 | 2 | 7 | 4.0 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC(F)(F)F)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834780 | 65785 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 549 | 8 | 2 | 7 | 4.0 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC(F)(F)F)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
25268440 | 93905 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.3 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL248153 | 93905 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.3 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
44573651 | 187207 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL492376 | 187207 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
10276594 | 93963 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 464 | 9 | 4 | 4 | 2.1 | CNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL248420 | 93963 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 464 | 9 | 4 | 4 | 2.1 | CNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
15290299 | 22614 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 319 | 3 | 1 | 2 | 4.7 | O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL132664 | 22614 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 319 | 3 | 1 | 2 | 4.7 | O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
22310883 | 116738 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL337485 | 116738 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
44573699 | 187672 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.8 | CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL495151 | 187672 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.8 | CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | |||
44395029 | 127286 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL365854 | 127286 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
44444002 | 93994 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 410 | 9 | 1 | 3 | 4.6 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL248638 | 93994 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 410 | 9 | 1 | 3 | 4.6 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
22310869 | 19471 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL129833 | 19471 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 | 10.1016/j.bmcl.2003.10.049 | |||
183790 | 3740 | 11 | None | - | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | |||
783 | 3740 | 11 | None | - | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | |||
CHEMBL1178786 | 3740 | 11 | None | - | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | |||
44415939 | 140131 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL380190 | 140131 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
44425638 | 153532 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 9 | 1 | 2 | 9.2 | CCCCCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL398001 | 153532 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 9 | 1 | 2 | 9.2 | CCCCCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44415996 | 80041 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 586 | 8 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL212939 | 80041 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 586 | 8 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 | 10.1016/j.bmcl.2006.07.011 | |||
53317527 | 58479 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C2CCOC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683084 | 58479 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C2CCOC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
71518406 | 86399 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.5 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314056 | 86399 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.5 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
89823349 | 126314 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650364 | 126314 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 | nan | |||
44593562 | 187493 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL494191 | 187493 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | |||
44453370 | 155741 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1cccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL405632 | 155741 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1cccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | |||
44573538 | 193264 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 6 | 2 | 2 | 6.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc3C2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL523861 | 193264 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 6 | 2 | 2 | 6.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc3C2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
11606167 | 90948 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 526 | 14 | 1 | 5 | 6.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL239359 | 90948 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 526 | 14 | 1 | 5 | 6.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
11606167 | 90948 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 526 | 14 | 1 | 5 | 6.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL239359 | 90948 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 526 | 14 | 1 | 5 | 6.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
71519381 | 86371 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313765 | 86371 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
86767124 | 129405 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 483 | 4 | 1 | 6 | 2.7 | COC1COCCC1NC1CC2OC(C)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
CHEMBL3671257 | 129405 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 483 | 4 | 1 | 6 | 2.7 | COC1COCCC1NC1CC2OC(C)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
11489078 | 73803 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018530 | 73803 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
44447815 | 155036 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 6 | 2 | 5 | 6.0 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cc(Cl)ncn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL401608 | 155036 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 6 | 2 | 5 | 6.0 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cc(Cl)ncn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
53320350 | 58673 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 463 | 6 | 1 | 5 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684697 | 58673 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 463 | 6 | 1 | 5 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
10162782 | 73704 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL2018370 | 73704 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
11180885 | 73733 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 5.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018399 | 73733 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 5.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | |||
49763575 | 65443 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 474 | 6 | 3 | 4 | 3.0 | N[C@]1(c2ccccc2)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829637 | 65443 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 474 | 6 | 3 | 4 | 3.0 | N[C@]1(c2ccccc2)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | |||
44444112 | 154840 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL400484 | 154840 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
44449204 | 95707 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 581 | 8 | 3 | 3 | 5.4 | CCNC(=O)NCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL258252 | 95707 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 581 | 8 | 3 | 3 | 5.4 | CCNC(=O)NCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
44395222 | 67042 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL187126 | 67042 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
10279914 | 73702 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)Cc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018368 | 73702 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)Cc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
44453369 | 97766 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 405 | 6 | 2 | 3 | 3.1 | O=C(CNC(=O)c1cccc(Cl)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL271726 | 97766 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 405 | 6 | 2 | 3 | 3.1 | O=C(CNC(=O)c1cccc(Cl)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
122181144 | 121830 | 0 | None | - | 0 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 514 | 6 | 1 | 3 | 5.7 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | |||
CHEMBL3589839 | 121830 | 0 | None | - | 0 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 514 | 6 | 1 | 3 | 5.7 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | |||
8447 | 188947 | 84 | None | -12 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | |||
CHEMBL508112 | 188947 | 84 | None | -12 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | |||
44415900 | 79934 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 589 | 8 | 2 | 4 | 4.7 | CS(=O)(=O)NC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL212542 | 79934 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 589 | 8 | 2 | 4 | 4.7 | CS(=O)(=O)NC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
3117 | 207839 | 103 | None | -2 | 16 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | |||
CHEMBL964 | 207839 | 103 | None | -2 | 16 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | |||
71517737 | 86369 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](N(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313763 | 86369 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](N(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
127027956 | 137578 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 294 | 2 | 1 | 1 | 4.8 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c2ccccc12 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3754764 | 137578 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 294 | 2 | 1 | 1 | 4.8 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c2ccccc12 | 10.1016/j.bmcl.2015.11.051 | |||
69285531 | 121225 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 441 | 8 | 2 | 3 | 4.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577935 | 121225 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 441 | 8 | 2 | 3 | 4.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
57344303 | 68929 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL1922789 | 68929 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
57344305 | 68937 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL1922797 | 68937 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
46944853 | 65428 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829621 | 65428 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 | 10.1016/j.bmcl.2011.06.080 | |||
56677288 | 65441 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 517 | 6 | 3 | 5 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCC4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829634 | 65441 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 517 | 6 | 3 | 5 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCC4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
44416157 | 80593 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215020 | 80593 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
44413257 | 77439 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 8 | 1 | 3 | 5.4 | CN(C)CCS[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL208685 | 77439 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 8 | 1 | 3 | 5.4 | CN(C)CCS[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
11670968 | 169373 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL442085 | 169373 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
54585108 | 62561 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782569 | 62561 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
89823348 | 126346 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | |||
CHEMBL3650395 | 126346 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | |||
46241609 | 83564 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml300260s | |||
CHEMBL2204248 | 83564 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml300260s | |||
25268085 | 93904 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 417 | 5 | 1 | 2 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL248151 | 93904 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 417 | 5 | 1 | 2 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
10227556 | 93964 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 9 | 3 | 4 | 2.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL248421 | 93964 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 9 | 3 | 4 | 2.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
89823555 | 126298 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650348 | 126298 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
89823534 | 126299 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650349 | 126299 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
89823347 | 126328 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2C(F)(F)F)C1 | nan | |||
CHEMBL3650378 | 126328 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2C(F)(F)F)C1 | nan | |||
89834736 | 126336 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@H]1NC1C[C@H]2CCC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 | nan | |||
CHEMBL3650386 | 126336 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@H]1NC1C[C@H]2CCC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 | nan | |||
53326900 | 58663 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 5 | 1 | 6 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C(C)C)(N2CCN(C(=O)OC(C)(C)C)CC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684682 | 58663 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 5 | 1 | 6 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C(C)C)(N2CCN(C(=O)OC(C)(C)C)CC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
127025447 | 137532 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 306 | 3 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3754334 | 137532 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 306 | 3 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
42632888 | 93629 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 5.4 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL246725 | 93629 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 5.4 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
57656729 | 75224 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 2.4 | CCN1CCOC(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036779 | 75224 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 2.4 | CCN1CCOC(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
44593564 | 187230 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL492564 | 187230 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | |||
70688149 | 75222 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 413 | 4 | 2 | 4 | 2.8 | CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036777 | 75222 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 413 | 4 | 2 | 4 | 2.8 | CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
44453472 | 155536 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL404259 | 155536 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
44425635 | 153530 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL398000 | 153530 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
10196988 | 169463 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 628 | 10 | 4 | 6 | 4.8 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL442929 | 169463 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 628 | 10 | 4 | 6 | 4.8 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
44442562 | 93731 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 504 | 9 | 3 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247210 | 93731 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 504 | 9 | 3 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44353464 | 20897 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1c(Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL131065 | 20897 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1c(Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
56661559 | 65748 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)O)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834641 | 65748 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)O)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
44444003 | 93995 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 460 | 9 | 1 | 3 | 5.8 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL248639 | 93995 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 460 | 9 | 1 | 3 | 5.8 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
44395195 | 171367 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 490 | 10 | 3 | 5 | 4.1 | Cc1csc(C(=O)NNC(=O)CN2CCCC2CNCCC(c2ccccc2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL446178 | 171367 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 490 | 10 | 3 | 5 | 4.1 | Cc1csc(C(=O)NNC(=O)CN2CCCC2CNCCC(c2ccccc2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
71517403 | 86381 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 535 | 4 | 1 | 5 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313775 | 86381 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 535 | 4 | 1 | 5 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
127025728 | 137534 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.7 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3754349 | 137534 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.7 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1 | 10.1016/j.bmcl.2015.11.051 | |||
67774360 | 130626 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 7 | 4 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | nan | |||
CHEMBL3681875 | 130626 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 7 | 4 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | nan | |||
44453563 | 95087 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 430 | 6 | 2 | 4 | 2.7 | N#Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL255385 | 95087 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 430 | 6 | 2 | 4 | 2.7 | N#Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
57656869 | 75219 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 3.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036774 | 75219 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 3.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
24801180 | 98038 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | |||
CHEMBL273079 | 98038 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | |||
68004012 | 86583 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 520 | 6 | 3 | 8 | 3.5 | Cc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315925 | 86583 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 520 | 6 | 3 | 8 | 3.5 | Cc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2012.12.017 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2020.112311 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2020.112311 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2020.112311 | |||
72947595 | 105219 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 4 | 2 | 6 | 1.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115096 | 105219 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 4 | 2 | 6 | 1.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1007/s00044-010-9497-9 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1007/s00044-010-9497-9 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1007/s00044-010-9497-9 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm300682j | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm300682j | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm300682j | |||
57656640 | 75209 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 390 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036762 | 75209 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 390 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.118 | |||
10208946 | 73716 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 536 | 13 | 5 | 5 | 4.2 | CCCC(O)(CCC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018382 | 73716 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 536 | 13 | 5 | 5 | 4.2 | CCCC(O)(CCC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
46241718 | 83569 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 546 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OC4CCC4)nc3)CC2)C1 | 10.1021/ml300260s | |||
CHEMBL2204253 | 83569 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 546 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OC4CCC4)nc3)CC2)C1 | 10.1021/ml300260s | |||
49763931 | 65424 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 499 | 6 | 3 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4[nH]cnc4c3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829617 | 65424 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 499 | 6 | 3 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4[nH]cnc4c3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
54754723 | 65751 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 8 | 2 | 6 | 3.4 | CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834644 | 65751 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 8 | 2 | 6 | 3.4 | CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
54755081 | 65775 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 7 | 3 | 6 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834719 | 65775 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 7 | 3 | 6 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
57396901 | 70522 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 9 | 3 | 5 | 3.2 | CCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1947042 | 70522 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 9 | 3 | 5 | 3.2 | CCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
44425650 | 86128 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 570 | 9 | 1 | 2 | 8.3 | CCCCCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231143 | 86128 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 570 | 9 | 1 | 2 | 8.3 | CCCCCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | |||
71768864 | 111111 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 485 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(OC(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263271 | 111111 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 485 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(OC(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | |||
10175423 | 188444 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 614 | 10 | 4 | 6 | 4.4 | CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL502515 | 188444 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 614 | 10 | 4 | 6 | 4.4 | CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
53325639 | 58468 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1683073 | 58468 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
53321484 | 58475 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683080 | 58475 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
44573651 | 187207 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(C)C)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL492376 | 187207 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(C)C)C1 | 10.1007/s00044-010-9501-4 | |||
57344297 | 68951 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 | nan | |||
CHEMBL1922815 | 68951 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 | nan | |||
46240381 | 83572 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 479 | 6 | 3 | 6 | 1.8 | Cn1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml300260s | |||
CHEMBL2204256 | 83572 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 479 | 6 | 3 | 6 | 1.8 | Cn1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml300260s | |||
44353223 | 116508 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 329 | 4 | 2 | 3 | 3.7 | O=C(O)c1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL336143 | 116508 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 329 | 4 | 2 | 3 | 3.7 | O=C(O)c1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | |||
46886508 | 8315 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 8 | 3 | 6 | 6.2 | CSc1ccc(CN[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1092739 | 8315 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 8 | 3 | 6 | 6.2 | CSc1ccc(CN[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
89823438 | 126329 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C(F)(F)F)cn2)C1 | nan | |||
CHEMBL3650379 | 126329 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C(F)(F)F)cn2)C1 | nan | |||
89823624 | 126330 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 474 | 5 | 1 | 6 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(Cl)c2)C1 | nan | |||
CHEMBL3650380 | 126330 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 474 | 5 | 1 | 6 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(Cl)c2)C1 | nan | |||
89823464 | 126350 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C#N)C1 | nan | |||
CHEMBL3650399 | 126350 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C#N)C1 | nan | |||
89823401 | 126354 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 512 | 5 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(Cl)c2C#N)C1 | nan | |||
CHEMBL3650402 | 126354 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 512 | 5 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(Cl)c2C#N)C1 | nan | |||
44425638 | 153532 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 9 | 1 | 2 | 9.2 | CCCCCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL398001 | 153532 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 9 | 1 | 2 | 9.2 | CCCCCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
72946381 | 105234 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 609 | 7 | 1 | 8 | 2.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115110 | 105234 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 609 | 7 | 1 | 8 | 2.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
68616341 | 73731 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018397 | 73731 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
56678507 | 65798 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834793 | 65798 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
44416138 | 138872 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL378195 | 138872 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
22143196 | 183985 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL481790 | 183985 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
44425642 | 142344 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL388675 | 142344 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
53325385 | 58456 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683061 | 58456 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
53326242 | 58686 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 452 | 4 | 2 | 4 | 2.7 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)NC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684711 | 58686 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 452 | 4 | 2 | 4 | 2.7 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)NC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
54584164 | 62566 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782574 | 62566 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
44425649 | 86127 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231142 | 86127 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2008.12.050 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2008.12.050 | |||
10323468 | 187670 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC1CC(N[C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C2)CCO1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL495149 | 187670 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC1CC(N[C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C2)CCO1 | 10.1016/j.bmcl.2008.12.050 | |||
10119551 | 93810 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 537 | 10 | 5 | 6 | 2.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(OC(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247622 | 93810 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 537 | 10 | 5 | 6 | 2.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(OC(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
22143196 | 183985 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL481790 | 183985 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
89823620 | 126361 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650409 | 126361 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
44425243 | 85801 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 8 | 2 | 7 | 6.2 | Nc1nc(C(CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL229536 | 85801 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 8 | 2 | 7 | 6.2 | Nc1nc(C(CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44416041 | 80430 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL214647 | 80430 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
22310991 | 19480 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL129881 | 19480 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
44395138 | 123975 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 8 | 4 | 7 | 2.5 | O=C(CN1CCCN(CCC(O)(c2ccccc2)c2cccc(O)c2)CC1)NNC(=O)c1cccs1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL362889 | 123975 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 8 | 4 | 7 | 2.5 | O=C(CN1CCCN(CCC(O)(c2ccccc2)c2cccc(O)c2)CC1)NNC(=O)c1cccs1 | 10.1016/j.bmcl.2004.08.008 | |||
70683355 | 73814 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 620 | 11 | 4 | 6 | 5.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018542 | 73814 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 620 | 11 | 4 | 6 | 5.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O | 10.1016/j.bmcl.2012.03.007 | |||
91754543 | 126364 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 465 | 4 | 1 | 4 | 4.1 | O=C(N1CCN(c2ccc(C(F)(F)F)cc2)CC1)C12CCCC1CC(NC1CCOCC1)C2 | nan | |||
CHEMBL3650412 | 126364 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 465 | 4 | 1 | 4 | 4.1 | O=C(N1CCN(c2ccc(C(F)(F)F)cc2)CC1)C12CCCC1CC(NC1CCOCC1)C2 | nan | |||
46241121 | 83570 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 6 | 3 | 6 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ncco3)CC2)C1 | 10.1021/ml300260s | |||
CHEMBL2204254 | 83570 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 6 | 3 | 6 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ncco3)CC2)C1 | 10.1021/ml300260s | |||
49863167 | 15203 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 561 | 9 | 2 | 6 | 5.6 | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL1210603 | 15203 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 561 | 9 | 2 | 6 | 5.6 | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
46886059 | 7980 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 565 | 7 | 1 | 5 | 4.0 | CN(C)[C@@H]1CC[C@H](N2CCC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1090561 | 7980 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 565 | 7 | 1 | 5 | 4.0 | CN(C)[C@@H]1CC[C@H](N2CCC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
127025446 | 137278 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3752224 | 137278 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
44439156 | 91973 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 575 | 10 | 2 | 6 | 5.9 | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL241498 | 91973 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 575 | 10 | 2 | 6 | 5.9 | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
44415903 | 81148 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215759 | 81148 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
46842084 | 7913 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccccc1C(=O)N1CCC(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1090206 | 7913 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccccc1C(=O)N1CCC(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | |||
72946387 | 105224 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 1.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(/C(N)=N\C#N)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115100 | 105224 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 1.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(/C(N)=N\C#N)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
54756038 | 65776 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 468 | 7 | 2 | 7 | 3.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3noc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834720 | 65776 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 468 | 7 | 2 | 7 | 3.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3noc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
56683044 | 65800 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 521 | 6 | 3 | 8 | 3.4 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834795 | 65800 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 521 | 6 | 3 | 8 | 3.4 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
56659196 | 65801 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 3 | 8 | 3.4 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834796 | 65801 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 3 | 8 | 3.4 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
71768830 | 111103 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 485 | 4 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2SCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263261 | 111103 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 485 | 4 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2SCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
54582216 | 62563 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 6 | 1 | 8 | 2.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782571 | 62563 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 6 | 1 | 8 | 2.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
44573486 | 193156 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOCC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL523054 | 193156 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOCC2)C1 | 10.1007/s00044-010-9501-4 | |||
11721085 | 166857 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL428559 | 166857 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
71519055 | 86396 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 476 | 4 | 1 | 4 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(Br)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314053 | 86396 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 476 | 4 | 1 | 4 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(Br)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
56668306 | 65715 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 488 | 6 | 2 | 4 | 5.2 | O=C(CSc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834580 | 65715 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 488 | 6 | 2 | 4 | 5.2 | O=C(CSc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
44441396 | 93581 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 5 | 1 | 1 | 6.5 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL246522 | 93581 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 5 | 1 | 1 | 6.5 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCCC1 | 10.1016/j.bmcl.2007.01.115 | |||
57402254 | 70510 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1946835 | 70510 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
44444109 | 94114 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 504 | 6 | 0 | 2 | 7.2 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249208 | 94114 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 504 | 6 | 0 | 2 | 7.2 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
44443996 | 155000 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 464 | 8 | 1 | 2 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL401387 | 155000 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 464 | 8 | 1 | 2 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
53322813 | 58480 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 547 | 7 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](Cc2cccnc2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683085 | 58480 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 547 | 7 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](Cc2cccnc2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
127028588 | 137432 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 250 | 2 | 1 | 1 | 3.8 | C[C@@]1(c2cccc(Cl)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753509 | 137432 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 250 | 2 | 1 | 1 | 3.8 | C[C@@]1(c2cccc(Cl)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | |||
44415996 | 80041 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 586 | 8 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL212939 | 80041 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 586 | 8 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 | 10.1016/j.bmcl.2006.07.011 | |||
24794656 | 180874 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4757452 | 180874 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
86767121 | 129402 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 3.3 | O=C(N1CCc2ccc(C(F)(F)F)cc2C1)C12CCOC1CC(NC1CCOCC1)C2 | nan | |||
CHEMBL3671254 | 129402 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 3.3 | O=C(N1CCc2ccc(C(F)(F)F)cc2C1)C12CCOC1CC(NC1CCOCC1)C2 | nan | |||
162656188 | 180913 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4757857 | 180913 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | |||
44447766 | 166876 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 558 | 6 | 1 | 2 | 7.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL428594 | 166876 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 558 | 6 | 1 | 2 | 7.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
50992246 | 58469 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683074 | 58469 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
50992246 | 58469 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1683074 | 58469 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
25110788 | 85958 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL230166 | 85958 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44425252 | 142255 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 652 | 9 | 2 | 7 | 6.6 | CC(=O)Nc1nc(C(CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL388486 | 142255 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 652 | 9 | 2 | 7 | 6.6 | CC(=O)Nc1nc(C(CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44425255 | 168882 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 650 | 8 | 2 | 5 | 7.2 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL438304 | 168882 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 650 | 8 | 2 | 5 | 7.2 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
50992246 | 58469 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1683074 | 58469 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
44593563 | 193108 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL522688 | 193108 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
68769802 | 121238 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 7 | 1 | 6 | 4.2 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | |||
CHEMBL3577949 | 121238 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 7 | 1 | 6 | 4.2 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | |||
11433008 | 77635 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 564 | 8 | 2 | 5 | 4.9 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088378 | 77635 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 564 | 8 | 2 | 5 | 4.9 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
44570781 | 192563 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL521275 | 192563 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | |||
44425645 | 86080 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230933 | 86080 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
53318853 | 58454 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683059 | 58454 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
53317041 | 58687 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 5 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684712 | 58687 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 5 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
53325460 | 58492 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683190 | 58492 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
57395217 | 71007 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccccn3)CC2)C1 | 10.1021/ml200030q | |||
CHEMBL1951768 | 71007 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccccn3)CC2)C1 | 10.1021/ml200030q | |||
57391767 | 71017 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 534 | 8 | 3 | 6 | 3.3 | CCOc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | |||
CHEMBL1951779 | 71017 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 534 | 8 | 3 | 6 | 3.3 | CCOc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | |||
53317028 | 58681 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 5 | 1 | 5 | 3.3 | CC(OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684706 | 58681 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 5 | 1 | 5 | 3.3 | CC(OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | |||
25022597 | 95337 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL256629 | 95337 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | |||
66768640 | 121224 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | |||
CHEMBL3577934 | 121224 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | |||
16066354 | 121233 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 5.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O | 10.1021/ml500505q | |||
CHEMBL3577943 | 121233 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 5.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O | 10.1021/ml500505q | |||
44425644 | 86079 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 514 | 5 | 1 | 2 | 6.7 | CCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230932 | 86079 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 514 | 5 | 1 | 2 | 6.7 | CCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
11353855 | 74547 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | |||
CHEMBL2029568 | 74547 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | |||
70689915 | 74551 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | |||
CHEMBL2029572 | 74551 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | |||
10117480 | 73714 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018380 | 73714 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
53325460 | 58492 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683190 | 58492 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
22143155 | 188060 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL497788 | 188060 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | |||
57656833 | 75227 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036782 | 75227 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
46886538 | 8316 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 647 | 8 | 1 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1092748 | 8316 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 647 | 8 | 1 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
44425653 | 86227 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231246 | 86227 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44425272 | 86033 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 626 | 10 | 2 | 5 | 7.2 | CCC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL230684 | 86033 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 626 | 10 | 2 | 5 | 7.2 | CCC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44425290 | 153529 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL397997 | 153529 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
53323653 | 58670 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 5 | 1 | 5 | 3.3 | CC(OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684694 | 58670 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 5 | 1 | 5 | 3.3 | CC(OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | |||
44425644 | 86079 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 514 | 5 | 1 | 2 | 6.7 | CCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230932 | 86079 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 514 | 5 | 1 | 2 | 6.7 | CCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
10281316 | 73720 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1021/jm300682j | |||
CHEMBL2018386 | 73720 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1021/jm300682j | |||
10281316 | 73720 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018386 | 73720 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | |||
11353843 | 74545 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | |||
CHEMBL2029566 | 74545 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | |||
24801690 | 98039 | 25 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | |||
CHEMBL273083 | 98039 | 25 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | |||
11527661 | 2019 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | |||
9045 | 2019 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | |||
CHEMBL1963131 | 2019 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | |||
10218403 | 187908 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 557 | 9 | 3 | 6 | 3.5 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL496630 | 187908 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 557 | 9 | 3 | 6 | 3.5 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | |||
11527661 | 2019 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
9045 | 2019 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
CHEMBL1963131 | 2019 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
70683350 | 73724 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 607 | 12 | 5 | 6 | 3.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018390 | 73724 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 607 | 12 | 5 | 6 | 3.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 | 10.1016/j.bmcl.2012.03.007 | |||
11179439 | 73734 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018400 | 73734 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
44583280 | 172447 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL447937 | 172447 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
44570714 | 189792 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 9 | 5 | 6 | 3.6 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL516224 | 189792 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 9 | 5 | 6 | 3.6 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
22143112 | 188443 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL502513 | 188443 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | |||
50992246 | 58469 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683074 | 58469 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
24794585 | 179522 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4741305 | 179522 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
44425647 | 86099 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231039 | 86099 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44425273 | 86052 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 638 | 10 | 2 | 5 | 7.2 | O=C(Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)C1CC1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL230794 | 86052 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 638 | 10 | 2 | 5 | 7.2 | O=C(Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)C1CC1 | 10.1016/j.bmcl.2006.10.059 | |||
162666730 | 182272 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4783861 | 182272 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
44449031 | 95696 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | COc1ccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL258204 | 95696 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | COc1ccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
10323427 | 79758 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL211775 | 79758 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | |||
72947411 | 105255 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 6 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115272 | 105255 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 6 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
11721085 | 166857 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL428559 | 166857 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
56671792 | 65792 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 472 | 6 | 3 | 5 | 3.9 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834787 | 65792 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 472 | 6 | 3 | 5 | 3.9 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
11640044 | 148245 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 405 | 5 | 1 | 1 | 6.2 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL393631 | 148245 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 405 | 5 | 1 | 1 | 6.2 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCC1 | 10.1016/j.bmcl.2007.01.115 | |||
44425308 | 153704 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL398150 | 153704 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44573486 | 193156 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL523054 | 193156 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
90656025 | 111118 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 0 | 6 | 2.7 | COC1COCCC1N(C)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263280 | 111118 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 0 | 6 | 2.7 | COC1COCCC1N(C)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
76335990 | 105237 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 6 | 2.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115113 | 105237 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 6 | 2.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
44453535 | 155172 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL402322 | 155172 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | |||
25033361 | 154481 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL399045 | 154481 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
25033361 | 154481 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL399045 | 154481 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
44353367 | 117301 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 344 | 3 | 1 | 3 | 4.6 | N#Cc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL339670 | 117301 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 344 | 3 | 1 | 3 | 4.6 | N#Cc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | |||
44442542 | 93763 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 464 | 10 | 4 | 4 | 2.2 | Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247406 | 93763 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 464 | 10 | 4 | 4 | 2.2 | Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
10409097 | 66640 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 406 | 5 | 2 | 5 | 2.4 | O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cccs1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL185282 | 66640 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 406 | 5 | 2 | 5 | 2.4 | O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cccs1 | 10.1016/j.bmcl.2004.08.008 | |||
127027624 | 137386 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1cc(C)cc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753178 | 137386 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1cc(C)cc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | |||
10277182 | 98000 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 475 | 7 | 2 | 3 | 4.6 | Cc1ccc(CN(C)[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
CHEMBL272860 | 98000 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 475 | 7 | 2 | 3 | 4.6 | Cc1ccc(CN(C)[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
22394337 | 117088 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 1 | 3 | 4.1 | COc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL339275 | 117088 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 1 | 3 | 4.1 | COc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | |||
24801690 | 98039 | 25 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | |||
CHEMBL273083 | 98039 | 25 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | |||
46830336 | 7848 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1089793 | 7848 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
11214277 | 74535 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccnc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1021/ml200199c | |||
CHEMBL2029415 | 74535 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccnc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1021/ml200199c | |||
44453268 | 95127 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 462 | 7 | 3 | 4 | 2.8 | CC(=O)Nc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL255585 | 95127 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 462 | 7 | 3 | 4 | 2.8 | CC(=O)Nc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
89823413 | 126331 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)ccc2C(F)(F)F)C1 | nan | |||
CHEMBL3650381 | 126331 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)ccc2C(F)(F)F)C1 | nan | |||
44453474 | 97869 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 512 | 6 | 3 | 4 | 2.6 | Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL272284 | 97869 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 512 | 6 | 3 | 4 | 2.6 | Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
72946198 | 105232 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 624 | 7 | 1 | 8 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115108 | 105232 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 624 | 7 | 1 | 8 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
10299408 | 73698 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018363 | 73698 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
46946058 | 65430 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 504 | 7 | 2 | 6 | 2.8 | CN(C)c1ncc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829623 | 65430 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 504 | 7 | 2 | 6 | 2.8 | CN(C)c1ncc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | |||
56683121 | 65809 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834853 | 65809 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
56676474 | 65810 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834854 | 65810 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
53322811 | 58472 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 3.1 | CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683077 | 58472 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 3.1 | CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
54583112 | 62544 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 513 | 6 | 0 | 7 | 3.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782378 | 62544 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 513 | 6 | 0 | 7 | 3.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
46240380 | 83561 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 519 | 7 | 3 | 6 | 2.5 | CN(C)c1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
CHEMBL2204245 | 83561 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 519 | 7 | 3 | 6 | 2.5 | CN(C)c1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
57393531 | 70509 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1946834 | 70509 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
44442596 | 93470 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 11 | 5 | 6 | 3.8 | CCOC(=O)Nc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246098 | 93470 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 11 | 5 | 6 | 3.8 | CCOC(=O)Nc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
73351183 | 93232 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL2448120 | 93232 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
44453477 | 155301 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL402988 | 155301 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | |||
44443989 | 94446 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 8 | 1 | 2 | 5.3 | O=C(/C=C/c1ccc(F)cc1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL251217 | 94446 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 8 | 1 | 2 | 5.3 | O=C(/C=C/c1ccc(F)cc1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
46886507 | 8082 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 9 | 4 | 6 | 5.7 | CSc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1091266 | 8082 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 9 | 4 | 6 | 5.7 | CSc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
89823576 | 126327 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 5 | 1 | 6 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 | nan | |||
CHEMBL3650377 | 126327 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 5 | 1 | 6 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 | nan | |||
46842233 | 7716 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1088875 | 7716 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
508741 | 167467 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL429912 | 167467 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | |||
90656017 | 111105 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2NCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263264 | 111105 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2NCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
72946198 | 105232 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 624 | 7 | 1 | 8 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115108 | 105232 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 624 | 7 | 1 | 8 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
72946199 | 105231 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 6 | 1 | 8 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115107 | 105231 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 6 | 1 | 8 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
57656854 | 75226 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 3 | 2 | 4 | 2.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036781 | 75226 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 3 | 2 | 4 | 2.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
46944854 | 65427 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cnccc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829620 | 65427 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cnccc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | |||
54754724 | 65752 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 9 | 2 | 6 | 3.6 | C=CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834645 | 65752 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 9 | 2 | 6 | 3.6 | C=CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
44425649 | 86127 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231142 | 86127 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
44413214 | 77798 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 4 | 1 | 5 | 4.9 | Cc1ccc2c(c1)C1(CCN(CCc3coc(-c4ccc(F)cc4)n3)CC1)OC(=O)N2 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL209263 | 77798 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 4 | 1 | 5 | 4.9 | Cc1ccc2c(c1)C1(CCN(CCc3coc(-c4ccc(F)cc4)n3)CC1)OC(=O)N2 | 10.1016/j.bmcl.2006.04.045 | |||
53320349 | 58667 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 417 | 5 | 1 | 4 | 2.6 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684690 | 58667 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 417 | 5 | 1 | 4 | 2.6 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
44570717 | 183830 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 8 | 3 | 4 | 4.2 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL480620 | 183830 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 8 | 3 | 4 | 4.2 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.12.062 | |||
44425256 | 86051 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 631 | 9 | 2 | 6 | 5.9 | CC(=O)Nc1nc(C(CCN2CCN(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL230791 | 86051 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 631 | 9 | 2 | 6 | 5.9 | CC(=O)Nc1nc(C(CCN2CCN(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
89823552 | 126301 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | |||
CHEMBL3650351 | 126301 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | |||
76335990 | 105237 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 6 | 2.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115113 | 105237 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 6 | 2.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
57344229 | 130639 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 6 | 4 | 3 | 6.5 | O=C(O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | |||
CHEMBL3681887 | 130639 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 6 | 4 | 3 | 6.5 | O=C(O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | |||
10137967 | 153946 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL398354 | 153946 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
10137967 | 153946 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL398354 | 153946 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44444099 | 154406 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL398844 | 154406 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
11844329 | 80038 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 592 | 7 | 1 | 2 | 7.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(CCc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
CHEMBL212928 | 80038 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 592 | 7 | 1 | 2 | 7.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(CCc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
23656584 | 89919 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 541 | 7 | 2 | 3 | 6.0 | O=C(O)C(C1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL237966 | 89919 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 541 | 7 | 2 | 3 | 6.0 | O=C(O)C(C1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
44453327 | 95093 | 25 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL255408 | 95093 | 25 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
42632840 | 168709 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 364 | 5 | 1 | 3 | 3.6 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL436822 | 168709 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 364 | 5 | 1 | 3 | 3.6 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
127025730 | 137320 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1C | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3752640 | 137320 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1C | 10.1016/j.bmcl.2015.11.051 | |||
89823462 | 126356 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 463 | 4 | 1 | 6 | 2.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1 | nan | |||
CHEMBL3650404 | 126356 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 463 | 4 | 1 | 6 | 2.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1 | nan | |||
72947411 | 105255 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 6 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115272 | 105255 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 6 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
72946381 | 105234 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 609 | 7 | 1 | 8 | 2.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115110 | 105234 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 609 | 7 | 1 | 8 | 2.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
69285563 | 121226 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 443 | 8 | 2 | 4 | 3.1 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577936 | 121226 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 443 | 8 | 2 | 4 | 3.1 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
67774071 | 130654 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 521 | 7 | 3 | 4 | 4.3 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
CHEMBL3681901 | 130654 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 521 | 7 | 3 | 4 | 4.3 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
54754844 | 65744 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 434 | 5 | 2 | 6 | 2.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C#N)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834638 | 65744 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 434 | 5 | 2 | 6 | 2.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C#N)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
71768831 | 111113 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 499 | 5 | 1 | 8 | 1.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263273 | 111113 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 499 | 5 | 1 | 8 | 1.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
122181238 | 121851 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 554 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)C1CC1 | 10.1016/j.bmc.2015.02.019 | |||
CHEMBL3589952 | 121851 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 554 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)C1CC1 | 10.1016/j.bmc.2015.02.019 | |||
23655673 | 146653 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 6 | 1 | 4 | 5.3 | COC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL392366 | 146653 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 6 | 1 | 4 | 5.3 | COC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
71518405 | 86398 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 4.7 | CCC(CC)N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314055 | 86398 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 4.7 | CCC(CC)N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
23655673 | 146653 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 6 | 1 | 4 | 5.3 | COC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL392366 | 146653 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 6 | 1 | 4 | 5.3 | COC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
44395169 | 66155 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 3.7 | Cc1csc(C(=O)NNC(=O)CNC2CCN(CCC(c3ccccc3)c3ccccc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL184240 | 66155 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 3.7 | Cc1csc(C(=O)NNC(=O)CNC2CCN(CCC(c3ccccc3)c3ccccc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
11690536 | 121220 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 12 | 4 | 4 | 2.7 | CCC[C@H](O)[C@H](CNCCC(C)C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577930 | 121220 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 12 | 4 | 4 | 2.7 | CCC[C@H](O)[C@H](CNCCC(C)C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
71519224 | 86397 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 466 | 4 | 1 | 4 | 3.9 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314054 | 86397 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 466 | 4 | 1 | 4 | 3.9 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
57400331 | 70524 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 551 | 9 | 3 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](NC2CCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1947044 | 70524 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 551 | 9 | 3 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](NC2CCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | |||
57403811 | 70339 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 651 | 10 | 3 | 6 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1944779 | 70339 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 651 | 10 | 3 | 6 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
53326703 | 58477 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 2.7 | CCOC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683082 | 58477 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 2.7 | CCOC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
89823551 | 126310 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650360 | 126310 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 | nan | |||
11215504 | 73800 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 5.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018527 | 73800 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 5.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
57398590 | 70335 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 565 | 8 | 2 | 5 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](N2CCCCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1944775 | 70335 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 565 | 8 | 2 | 5 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](N2CCCCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | |||
71768862 | 111115 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 1.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2ccnc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263275 | 111115 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 1.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2ccnc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
22310924 | 20166 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL130467 | 20166 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
22311000 | 20344 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2ccc(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL130608 | 20344 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2ccc(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
44444006 | 94036 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 446 | 9 | 1 | 3 | 4.9 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL248829 | 94036 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 446 | 9 | 1 | 3 | 4.9 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
23656432 | 154399 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 549 | 6 | 1 | 5 | 5.2 | CC(=O)n1cc(C2CCN(C(C(=O)O)C3CCN(C(=O)/C=C/c4cc(F)cc(F)c4)CC3)CC2)c2ccccc21 | 10.1021/jm070902b | |||
CHEMBL398796 | 154399 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 549 | 6 | 1 | 5 | 5.2 | CC(=O)n1cc(C2CCN(C(C(=O)O)C3CCN(C(=O)/C=C/c4cc(F)cc(F)c4)CC3)CC2)c2ccccc21 | 10.1021/jm070902b | |||
44395137 | 66191 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(F)c3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL184390 | 66191 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(F)c3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
127028587 | 137554 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 250 | 2 | 1 | 1 | 3.8 | C[C@@]1(c2ccc(Cl)cc2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3754549 | 137554 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 250 | 2 | 1 | 1 | 3.8 | C[C@@]1(c2ccc(Cl)cc2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | |||
44413328 | 139256 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL378995 | 139256 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
25270182 | 93322 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 429 | 6 | 1 | 2 | 5.7 | Cc1ccc(-c2cccc(C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)c2)cc1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL245290 | 93322 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 429 | 6 | 1 | 2 | 5.7 | Cc1ccc(-c2cccc(C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)c2)cc1 | 10.1016/j.bmcl.2007.01.115 | |||
46885159 | 8373 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1093153 | 8373 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | |||
127027626 | 137248 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 266 | 2 | 1 | 1 | 3.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)c(F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3751926 | 137248 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 266 | 2 | 1 | 1 | 3.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)c(F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
44416015 | 81131 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215689 | 81131 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
72947193 | 105229 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 568 | 6 | 1 | 7 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115105 | 105229 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 568 | 6 | 1 | 7 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
57656749 | 75208 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036761 | 75208 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
49763571 | 65416 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 459 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829609 | 65416 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 459 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
70687885 | 74527 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.4 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@H](c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029407 | 74527 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.4 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@H](c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
71768931 | 111123 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 4 | 1 | 5 | 4.9 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263285 | 111123 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 4 | 1 | 5 | 4.9 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | |||
44573487 | 192632 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 6.0 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL521697 | 192632 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 6.0 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 | 10.1007/s00044-010-9501-4 | |||
10141379 | 73701 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018366 | 73701 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
44425642 | 142344 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL388675 | 142344 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
46885029 | 8247 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1092343 | 8247 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | |||
71518571 | 86403 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 485 | 3 | 1 | 5 | 3.1 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCS(=O)(=O)CC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314060 | 86403 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 485 | 3 | 1 | 5 | 3.1 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCS(=O)(=O)CC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
71552097 | 86587 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 6 | 3 | 7 | 3.6 | Nc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315929 | 86587 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 6 | 3 | 7 | 3.6 | Nc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | |||
46240895 | 83576 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccns3)CC2)C1 | 10.1021/ml300260s | |||
CHEMBL2204260 | 83576 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccns3)CC2)C1 | 10.1021/ml300260s | |||
46927116 | 65435 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829628 | 65435 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
54755919 | 65757 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 6 | 2 | 7 | 4.5 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834651 | 65757 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 6 | 2 | 7 | 4.5 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
44612590 | 137468 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753813 | 137468 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
53326702 | 58466 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683071 | 58466 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
44425283 | 86059 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 648 | 10 | 2 | 6 | 6.2 | CS(=O)(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL230824 | 86059 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 648 | 10 | 2 | 6 | 6.2 | CS(=O)(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44425322 | 153199 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 738 | 9 | 2 | 5 | 8.6 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)C3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL397717 | 153199 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 738 | 9 | 2 | 5 | 8.6 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)C3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
44573488 | 187677 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL495165 | 187677 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
44442577 | 93544 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 520 | 10 | 4 | 4 | 3.5 | CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246407 | 93544 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 520 | 10 | 4 | 4 | 3.5 | CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44442578 | 155127 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 10 | 4 | 5 | 3.0 | Cc1cc(N(C)C)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL402056 | 155127 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 10 | 4 | 5 | 3.0 | Cc1cc(N(C)C)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
16720313 | 85415 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.4 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](N2CCC(c3ccccc3)CC2)C1 | 10.1021/jm070166b | |||
CHEMBL226376 | 85415 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.4 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](N2CCC(c3ccccc3)CC2)C1 | 10.1021/jm070166b | |||
53320967 | 58665 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 433 | 5 | 1 | 4 | 3.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684684 | 58665 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 433 | 5 | 1 | 4 | 3.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
24801344 | 97729 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 475 | 8 | 3 | 3 | 4.8 | CC(C)c1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | |||
CHEMBL271537 | 97729 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 475 | 8 | 3 | 3 | 4.8 | CC(C)c1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | |||
44573410 | 187424 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 7 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCC2CCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL493779 | 187424 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 7 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCC2CCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
44573410 | 187424 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 7 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCC2CCOCC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL493779 | 187424 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 7 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCC2CCOCC2)C1 | 10.1007/s00044-010-9501-4 | |||
122181153 | 121838 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 558 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | |||
CHEMBL3589847 | 121838 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 558 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | |||
122181151 | 121837 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 622 | 7 | 1 | 3 | 7.6 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | |||
CHEMBL3589846 | 121837 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 622 | 7 | 1 | 3 | 7.6 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | |||
72946387 | 105224 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 1.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(/C(N)=N\C#N)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115100 | 105224 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 1.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(/C(N)=N\C#N)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
11553070 | 75198 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036751 | 75198 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
46208367 | 83579 | 13 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | |||
CHEMBL2204263 | 83579 | 13 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | |||
10195882 | 70504 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1946829 | 70504 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | |||
44415973 | 81053 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CC[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215394 | 81053 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CC[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
44415939 | 140131 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL380190 | 140131 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
44442598 | 154385 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL398747 | 154385 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
24801522 | 161135 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | |||
CHEMBL411726 | 161135 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | |||
89823526 | 126345 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 4 | 0 | 4 | 5.7 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | |||
CHEMBL3650394 | 126345 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 4 | 0 | 4 | 5.7 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | |||
57344319 | 130633 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 491 | 6 | 4 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(F)c2)CC1 | nan | |||
CHEMBL3681881 | 130633 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 491 | 6 | 4 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(F)c2)CC1 | nan | |||
9889422 | 127152 | 3 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL365681 | 127152 | 3 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
54755193 | 65743 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 6 | 3 | 4 | 4.0 | CC(C)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834637 | 65743 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 6 | 3 | 4 | 4.0 | CC(C)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
57395061 | 70334 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 10 | 2 | 5 | 3.9 | CCCN(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1944774 | 70334 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 10 | 2 | 5 | 3.9 | CCCN(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
71768897 | 111121 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 543 | 4 | 1 | 5 | 4.5 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263283 | 111121 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 543 | 4 | 1 | 5 | 4.5 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | |||
44353197 | 20768 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 4 | 1 | 4 | 4.6 | O=C(NS(=O)(=O)C(F)(F)F)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL130947 | 20768 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 4 | 1 | 4 | 4.6 | O=C(NS(=O)(=O)C(F)(F)F)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
127025729 | 137322 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1C | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3752652 | 137322 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1C | 10.1016/j.bmcl.2015.11.051 | |||
127036934 | 137426 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 248 | 2 | 1 | 1 | 3.5 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753474 | 137426 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 248 | 2 | 1 | 1 | 3.5 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
57391797 | 70508 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1946833 | 70508 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
68004016 | 86606 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1nccc2ncc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2316211 | 86606 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1nccc2ncc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
11342351 | 77639 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 592 | 10 | 2 | 5 | 5.5 | CCCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088381 | 77639 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 592 | 10 | 2 | 5 | 5.5 | CCCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
44415898 | 81119 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215654 | 81119 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
53320970 | 58679 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 2.5 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684704 | 58679 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 2.5 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
44442566 | 154776 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 506 | 10 | 4 | 4 | 3.2 | CCc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL400159 | 154776 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 506 | 10 | 4 | 4 | 3.2 | CCc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
22143196 | 183985 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL481790 | 183985 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
44444005 | 93996 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 428 | 9 | 1 | 3 | 4.8 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3cc(F)cc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL248640 | 93996 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 428 | 9 | 1 | 3 | 4.8 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3cc(F)cc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
132572938 | 156787 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1 | 10.1016/j.ejmech.2017.04.046 | |||
CHEMBL4070869 | 156787 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1 | 10.1016/j.ejmech.2017.04.046 | |||
44353377 | 23168 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.1 | CS(=O)(=O)c1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL133111 | 23168 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.1 | CS(=O)(=O)c1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
71552260 | 86596 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 574 | 6 | 3 | 8 | 4.2 | O=C(CNc1nc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315938 | 86596 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 574 | 6 | 3 | 8 | 4.2 | O=C(CNc1nc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
72946013 | 105257 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 560 | 4 | 1 | 6 | 2.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115274 | 105257 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 560 | 4 | 1 | 6 | 2.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
76333441 | 84897 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](NCCN1CCCCC1)c1ccsc1 | 10.1007/s00044-010-9497-9 | |||
CHEMBL2236473 | 84897 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](NCCN1CCCCC1)c1ccsc1 | 10.1007/s00044-010-9497-9 | |||
10323427 | 79758 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL211775 | 79758 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | |||
508877 | 95059 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL255209 | 95059 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | |||
53321503 | 58490 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 8 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683188 | 58490 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 8 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
53321615 | 58678 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684703 | 58678 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
67772859 | 124445 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 535 | 7 | 2 | 4 | 5.6 | COC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
CHEMBL3639807 | 124445 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 535 | 7 | 2 | 4 | 5.6 | COC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
10139782 | 73697 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 10 | 4 | 4 | 3.1 | CC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018362 | 73697 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 10 | 4 | 4 | 3.1 | CC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
49763569 | 65417 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 2.7 | O=C(CNC(=O)c1ccccc1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829610 | 65417 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 2.7 | O=C(CNC(=O)c1ccccc1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
25268436 | 93427 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL245896 | 93427 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
9885442 | 20751 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL130936 | 20751 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
89823586 | 126322 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 | nan | |||
CHEMBL3650372 | 126322 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 | nan | |||
72947413 | 105254 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 510 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115271 | 105254 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 510 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
162666730 | 182272 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4783861 | 182272 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
155491018 | 174081 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4544504 | 174081 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | |||
86767123 | 129404 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.1 | CCC1CC2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)CC(NC3CCOCC3OC)CC2O1 | nan | |||
CHEMBL3671256 | 129404 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.1 | CCC1CC2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)CC(NC3CCOCC3OC)CC2O1 | nan | |||
11699149 | 95104 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL255478 | 95104 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
10304021 | 73718 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018384 | 73718 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | |||
44415880 | 169337 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL441856 | 169337 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
44447775 | 95705 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 558 | 6 | 1 | 2 | 7.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL258246 | 95705 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 558 | 6 | 1 | 2 | 7.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
44425643 | 86040 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230722 | 86040 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
44425271 | 153240 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 598 | 10 | 2 | 5 | 6.4 | O=CNc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL397747 | 153240 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 598 | 10 | 2 | 5 | 6.4 | O=CNc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44593562 | 187493 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494191 | 187493 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
71768755 | 111098 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.1 | CCC1C[C@@]2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C[C@H](NC3CCOCC3OC)C[C@H]2O1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263256 | 111098 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.1 | CCC1C[C@@]2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C[C@H](NC3CCOCC3OC)C[C@H]2O1 | 10.1016/j.bmcl.2014.03.036 | |||
11591956 | 89335 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL236930 | 89335 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
23656430 | 89879 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 540 | 6 | 3 | 4 | 4.8 | Nc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | |||
CHEMBL237806 | 89879 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 540 | 6 | 3 | 4 | 4.8 | Nc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | |||
11548199 | 89920 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL237967 | 89920 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
23656431 | 146335 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 5.5 | Cc1[nH]c2ccccc2c1C1CCN(C(C(=O)O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1021/jm070902b | |||
CHEMBL392120 | 146335 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 5.5 | Cc1[nH]c2ccccc2c1C1CCN(C(C(=O)O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1021/jm070902b | |||
44453405 | 95434 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 6 | 4 | 5 | 2.6 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1Cl | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL257062 | 95434 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 6 | 4 | 5 | 2.6 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1Cl | 10.1016/j.bmcl.2008.02.015 | |||
53318316 | 58677 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 453 | 4 | 1 | 5 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684702 | 58677 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 453 | 4 | 1 | 5 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
57395219 | 71009 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1 | 10.1021/ml200030q | |||
CHEMBL1951770 | 71009 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1 | 10.1021/ml200030q | |||
53320973 | 58688 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 453 | 6 | 1 | 5 | 3.0 | CC(C)COC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684713 | 58688 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 453 | 6 | 1 | 5 | 3.0 | CC(C)COC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
44580590 | 193569 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL526859 | 193569 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | |||
24794585 | 179522 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4741305 | 179522 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
11283842 | 73736 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 522 | 13 | 5 | 5 | 4.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018402 | 73736 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 522 | 13 | 5 | 5 | 4.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
11273379 | 74546 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | |||
CHEMBL2029567 | 74546 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | |||
54583111 | 62543 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 512 | 6 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782377 | 62543 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 512 | 6 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
24794583 | 181091 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4760098 | 181091 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | |||
53321616 | 58458 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683063 | 58458 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
25110716 | 155204 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | |||
CHEMBL402532 | 155204 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | |||
44573485 | 187719 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL495368 | 187719 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
44573452 | 187605 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL494770 | 187605 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOC2)C1 | 10.1007/s00044-010-9501-4 | |||
68764898 | 671 | 2 | None | - | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | |||
9430 | 671 | 2 | None | - | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | |||
CHEMBL3577945 | 671 | 2 | None | - | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | |||
10281715 | 73721 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018387 | 73721 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | |||
10281715 | 73721 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | |||
CHEMBL2018387 | 73721 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | |||
69286635 | 121229 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 9 | 2 | 3 | 4.9 | CC(C)CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577939 | 121229 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 9 | 2 | 3 | 4.9 | CC(C)CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
44571218 | 183876 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL481009 | 183876 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
57398750 | 71014 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccnnc3)CC2)C1 | 10.1021/ml200030q | |||
CHEMBL1951775 | 71014 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccnnc3)CC2)C1 | 10.1021/ml200030q | |||
66768640 | 121224 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | |||
CHEMBL3577934 | 121224 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | |||
68004002 | 86582 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315924 | 86582 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
67774784 | 130648 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 5.3 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | |||
CHEMBL3681896 | 130648 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 5.3 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | |||
11712754 | 95064 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 5 | 3 | 3 | 4.9 | O=C(Nc1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL255266 | 95064 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 5 | 3 | 3 | 4.9 | O=C(Nc1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
11555541 | 155293 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 529 | 6 | 2 | 3 | 5.2 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL402955 | 155293 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 529 | 6 | 2 | 3 | 5.2 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
11192300 | 73801 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 4.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018528 | 73801 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 4.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
11718088 | 93580 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 391 | 5 | 1 | 1 | 5.8 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL246520 | 93580 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 391 | 5 | 1 | 1 | 5.8 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCC1 | 10.1016/j.bmcl.2007.01.115 | |||
71519054 | 86395 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 432 | 4 | 1 | 4 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(Cl)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314052 | 86395 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 432 | 4 | 1 | 4 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(Cl)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
10436083 | 79875 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL212306 | 79875 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
44442565 | 93539 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 9 | 4 | 4 | 2.9 | Cc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246401 | 93539 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 9 | 4 | 4 | 2.9 | Cc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
10299952 | 155009 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 488 | 10 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL401463 | 155009 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 488 | 10 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
24801343 | 97771 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 4.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 | 10.1021/jm701488f | |||
CHEMBL271752 | 97771 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 4.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 | 10.1021/jm701488f | |||
44395165 | 169471 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 508 | 9 | 2 | 6 | 3.4 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(CO)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL442966 | 169471 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 508 | 9 | 2 | 6 | 3.4 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(CO)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
44444098 | 161662 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1cccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL413084 | 161662 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1cccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2007.07.065 | |||
44395129 | 66642 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 399 | 8 | 2 | 3 | 3.2 | O=C(CCNC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL185283 | 66642 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 399 | 8 | 2 | 3 | 3.2 | O=C(CCNC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
57344313 | 130655 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 4.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | |||
CHEMBL3681902 | 130655 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 4.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | |||
57344303 | 130647 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL3681895 | 130647 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
71517239 | 86372 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@H]1C[C@@H]2CCC[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313766 | 86372 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@H]1C[C@@H]2CCC[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
72946200 | 105230 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 2.2 | COCCOC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115106 | 105230 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 2.2 | COCCOC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
72946008 | 105235 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 625 | 7 | 1 | 9 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115111 | 105235 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 625 | 7 | 1 | 9 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
53321483 | 58473 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 3.5 | CCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683078 | 58473 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 3.5 | CCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
10279078 | 73713 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 508 | 11 | 5 | 5 | 3.5 | CCC(O)(CC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018379 | 73713 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 508 | 11 | 5 | 5 | 3.5 | CCC(O)(CC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
46240687 | 83583 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 528 | 7 | 3 | 7 | 3.2 | CSc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | |||
CHEMBL2204267 | 83583 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 528 | 7 | 3 | 7 | 3.2 | CSc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | |||
44447786 | 95112 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 584 | 7 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL255511 | 95112 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 584 | 7 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
54584109 | 62545 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782379 | 62545 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | |||
69286108 | 121231 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 505 | 9 | 2 | 4 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 | 10.1021/ml500505q | |||
CHEMBL3577941 | 121231 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 505 | 9 | 2 | 4 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 | 10.1021/ml500505q | |||
10218812 | 193432 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 621 | 10 | 3 | 7 | 2.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NS(C)(=O)=O)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL526180 | 193432 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 621 | 10 | 3 | 7 | 2.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NS(C)(=O)=O)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
89823580 | 126335 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 | nan | |||
CHEMBL3650385 | 126335 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 | nan | |||
57344314 | 68928 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL1922788 | 68928 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
76314234 | 105221 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 5 | 2 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115098 | 105221 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 5 | 2 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
72945830 | 105225 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 526 | 4 | 1 | 7 | 2.2 | COC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115101 | 105225 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 526 | 4 | 1 | 7 | 2.2 | COC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
49764701 | 65437 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 500 | 6 | 3 | 5 | 2.9 | N#Cc1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829630 | 65437 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 500 | 6 | 3 | 5 | 2.9 | N#Cc1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | |||
44442543 | 154819 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 11 | 4 | 4 | 2.9 | CCNC(=O)[C@H](CCNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL400383 | 154819 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 11 | 4 | 4 | 2.9 | CCNC(=O)[C@H](CCNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
22310945 | 118059 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL340450 | 118059 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
44395186 | 65216 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 478 | 8 | 1 | 5 | 3.9 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL182598 | 65216 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 478 | 8 | 1 | 5 | 3.9 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
57397013 | 70511 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 343 | 4 | 3 | 3 | 1.8 | N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1946836 | 70511 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 343 | 4 | 3 | 3 | 1.8 | N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | |||
44395143 | 67012 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 406 | 6 | 3 | 5 | 2.3 | Cc1csc(C(=O)NNC(=O)CNC2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL186984 | 67012 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 406 | 6 | 3 | 5 | 2.3 | Cc1csc(C(=O)NNC(=O)CNC2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
24801345 | 97852 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
CHEMBL272167 | 97852 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
24801345 | 97852 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
CHEMBL272167 | 97852 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
122181152 | 121704 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 638 | 8 | 1 | 4 | 7.2 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | |||
CHEMBL3588870 | 121704 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 638 | 8 | 1 | 4 | 7.2 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | |||
5353432 | 97493 | 89 | None | -1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 | nan | |||
CHEMBL270299 | 97493 | 89 | None | -1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 | nan | |||
44573569 | 193287 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 6 | 2 | 3 | 6.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOc3ccccc32)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL524030 | 193287 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 6 | 2 | 3 | 6.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOc3ccccc32)C1 | 10.1007/s00044-010-9501-4 | |||
44573569 | 193287 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 6 | 2 | 3 | 6.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOc3ccccc32)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL524030 | 193287 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 6 | 2 | 3 | 6.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOc3ccccc32)C1 | 10.1016/j.bmcl.2008.12.050 | |||
44415904 | 80428 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL214641 | 80428 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
44425306 | 142367 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL388949 | 142367 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
44453408 | 95436 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 436 | 6 | 4 | 5 | 2.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL257064 | 95436 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 436 | 6 | 4 | 5 | 2.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
44593562 | 187493 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494191 | 187493 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
49863225 | 15213 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 609 | 13 | 5 | 7 | 4.4 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL1210728 | 15213 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 609 | 13 | 5 | 7 | 4.4 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
44395136 | 67077 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 493 | 8 | 2 | 6 | 3.5 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(N)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL187284 | 67077 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 493 | 8 | 2 | 6 | 3.5 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(N)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
9842404 | 67272 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 371 | 6 | 2 | 3 | 2.5 | O=C(CNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL188170 | 67272 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 371 | 6 | 2 | 3 | 2.5 | O=C(CNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
44413147 | 139711 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL379818 | 139711 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | |||
25269516 | 93321 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 353 | 5 | 1 | 2 | 4.0 | Cc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL245289 | 93321 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 353 | 5 | 1 | 2 | 4.0 | Cc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 | 10.1016/j.bmcl.2007.01.115 | |||
44439166 | 90544 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 595 | 12 | 5 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL238731 | 90544 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 595 | 12 | 5 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
11237256 | 73732 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018398 | 73732 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
46945254 | 65433 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1cccnc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829626 | 65433 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1cccnc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | |||
89823575 | 126309 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 | nan | |||
CHEMBL3650359 | 126309 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 | nan | |||
89823628 | 126347 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 555 | 5 | 0 | 5 | 4.8 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650396 | 126347 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 555 | 5 | 0 | 5 | 4.8 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | |||
11585168 | 90686 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL239143 | 90686 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
44442573 | 93541 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 521 | 10 | 4 | 5 | 2.7 | CN(C)c1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246404 | 93541 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 521 | 10 | 4 | 5 | 2.7 | CN(C)c1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | |||
44395125 | 123116 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 409 | 7 | 0 | 3 | 5.3 | N#Cc1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL361121 | 123116 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 409 | 7 | 0 | 3 | 5.3 | N#Cc1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
508727 | 155317 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 389 | 6 | 2 | 3 | 2.6 | O=C(CNC(=O)c1cccc(F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL403058 | 155317 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 389 | 6 | 2 | 3 | 2.6 | O=C(CNC(=O)c1cccc(F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
44415945 | 139547 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 2 | 8.4 | CC[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL379634 | 139547 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 2 | 8.4 | CC[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
127028592 | 137498 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 284 | 2 | 1 | 1 | 4.4 | C[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3754037 | 137498 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 284 | 2 | 1 | 1 | 4.4 | C[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | |||
11585168 | 90686 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL239143 | 90686 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
46241509 | 83560 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
CHEMBL2204244 | 83560 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
46945857 | 65429 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cnccn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829622 | 65429 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cnccn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
54754722 | 65750 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 439 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834643 | 65750 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 439 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
10030247 | 95406 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccncn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL256954 | 95406 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccncn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
44425634 | 142016 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL387587 | 142016 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
10240278 | 172895 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 654 | 10 | 4 | 6 | 5.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL451597 | 172895 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 654 | 10 | 4 | 6 | 5.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
69321774 | 73808 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 593 | 13 | 5 | 5 | 4.4 | CCC[C@H](O)[C@H](CN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018536 | 73808 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 593 | 13 | 5 | 5 | 4.4 | CCC[C@H](O)[C@H](CN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | |||
11844471 | 80197 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 2 | 8.4 | CCC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCC12C=Cc1ccccc12 | 10.1021/jm060439n | |||
CHEMBL213648 | 80197 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 2 | 8.4 | CCC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCC12C=Cc1ccccc12 | 10.1021/jm060439n | |||
71519053 | 86394 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 416 | 4 | 1 | 4 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314051 | 86394 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 416 | 4 | 1 | 4 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
11570045 | 90947 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL239358 | 90947 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
11570045 | 90947 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL239358 | 90947 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
46885028 | 8420 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1093470 | 8420 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | |||
89823601 | 126358 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650406 | 126358 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
70696470 | 75216 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036769 | 75216 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | |||
72946775 | 105233 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 597 | 7 | 2 | 8 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCNC(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115109 | 105233 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 597 | 7 | 2 | 8 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCNC(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
71517401 | 86379 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](Cl)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313773 | 86379 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](Cl)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
51039119 | 176215 | 33 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | |||
CHEMBL4594419 | 176215 | 33 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | |||
46241826 | 83559 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
CHEMBL2204243 | 83559 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
56667036 | 65425 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 6 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829618 | 65425 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 6 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
44447789 | 155220 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 600 | 7 | 3 | 4 | 6.2 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL402624 | 155220 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 600 | 7 | 3 | 4 | 6.2 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
44453472 | 155536 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL404259 | 155536 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
44425640 | 96927 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 576 | 5 | 1 | 2 | 7.6 | C[C@H]1CN(C2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL266017 | 96927 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 576 | 5 | 1 | 2 | 7.6 | C[C@H]1CN(C2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
11844470 | 141734 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | CC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCC12C=Cc1ccccc12 | 10.1021/jm060439n | |||
CHEMBL385824 | 141734 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | CC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCC12C=Cc1ccccc12 | 10.1021/jm060439n | |||
11456448 | 77643 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 640 | 10 | 2 | 5 | 6.2 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Cc3ccccc3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088385 | 77643 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 640 | 10 | 2 | 5 | 6.2 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Cc3ccccc3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
53321427 | 58464 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683069 | 58464 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
89823598 | 126363 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650410 | 126363 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
44395094 | 67255 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 4.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL188075 | 67255 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 4.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
46886057 | 8397 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 639 | 9 | 1 | 6 | 5.5 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1093319 | 8397 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 639 | 9 | 1 | 6 | 5.5 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
44612589 | 137430 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@@H]1CC=C(C(=O)O)[C@@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753491 | 137430 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@@H]1CC=C(C(=O)O)[C@@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
44444000 | 94509 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 464 | 8 | 1 | 2 | 6.4 | O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL251620 | 94509 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 464 | 8 | 1 | 2 | 6.4 | O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
44395254 | 66240 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 564 | 10 | 1 | 7 | 4.1 | CN(C)c1ccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccc(N(C)C)cc2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL184582 | 66240 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 564 | 10 | 1 | 7 | 4.1 | CN(C)c1ccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccc(N(C)C)cc2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
10153431 | 188327 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 643 | 9 | 3 | 7 | 5.7 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL500786 | 188327 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 643 | 9 | 3 | 7 | 5.7 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
11641253 | 58451 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 464 | 5 | 1 | 3 | 5.3 | CC(C)[C@]1(C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683054 | 58451 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 464 | 5 | 1 | 3 | 5.3 | CC(C)[C@]1(C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
53324140 | 58460 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683065 | 58460 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
89823656 | 126353 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650401 | 126353 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | |||
53318854 | 58467 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683072 | 58467 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
9852285 | 8258 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 634 | 7 | 3 | 6 | 5.8 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1092434 | 8258 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 634 | 7 | 3 | 6 | 5.8 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
44415942 | 138679 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 534 | 8 | 2 | 3 | 5.7 | CC(O)C(CCN1CCC(c2ccc(F)cc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL377819 | 138679 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 534 | 8 | 2 | 3 | 5.7 | CC(O)C(CCN1CCC(c2ccc(F)cc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
53326700 | 58461 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683066 | 58461 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
22143314 | 193200 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 8 | 3 | 5 | 3.1 | CSc1ccc(CNC2CCN(C(C)=O)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL523403 | 193200 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 8 | 3 | 5 | 3.1 | CSc1ccc(CNC2CCN(C(C)=O)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
122181236 | 121849 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 8 | 1 | 4 | 6.3 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | |||
CHEMBL3589950 | 121849 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 8 | 1 | 4 | 6.3 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | |||
44593561 | 12661 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL1187238 | 12661 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL494580 | 12661 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1007/s00044-010-9501-4 | |||
44593561 | 12661 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL1187238 | 12661 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494580 | 12661 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
44415992 | 80607 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215093 | 80607 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
52950180 | 19348 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 10 | 2 | 4 | 5.1 | CCCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1290754 | 19348 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 10 | 2 | 4 | 5.1 | CCCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
44442576 | 93543 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 2.9 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246406 | 93543 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 2.9 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44423285 | 142164 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 7.0 | C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm070166b | |||
CHEMBL388380 | 142164 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 7.0 | C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm070166b | |||
89823445 | 126349 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | |||
CHEMBL3650398 | 126349 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | |||
57344295 | 130623 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | |||
CHEMBL3681872 | 130623 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | |||
23656067 | 148985 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.7 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL394228 | 148985 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.7 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
23656067 | 148985 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.7 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1021/jm070902b | |||
CHEMBL394228 | 148985 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.7 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1021/jm070902b | |||
86698131 | 126304 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 582 | 5 | 1 | 5 | 5.4 | O=C(O)c1cccc(C2CCN([C@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)ccn4)C3)CC2)c1 | nan | |||
CHEMBL3650354 | 126304 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 582 | 5 | 1 | 5 | 5.4 | O=C(O)c1cccc(C2CCN([C@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)ccn4)C3)CC2)c1 | nan | |||
44439160 | 169395 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 11 | 4 | 6 | 4.9 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL442254 | 169395 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 11 | 4 | 6 | 4.9 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
44439160 | 169395 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 11 | 4 | 6 | 4.9 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL442254 | 169395 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 11 | 4 | 6 | 4.9 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
25267738 | 93868 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 339 | 5 | 1 | 2 | 3.7 | C[N+](C)(Cc1ccc(NC(=O)c2ccccc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL247949 | 93868 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 339 | 5 | 1 | 2 | 3.7 | C[N+](C)(Cc1ccc(NC(=O)c2ccccc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
22311005 | 19980 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 5.1 | O=C(NS(=O)(=O)c1ccccc1)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL130318 | 19980 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 5.1 | O=C(NS(=O)(=O)c1ccccc1)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
44415864 | 80544 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 7 | 2 | 3 | 6.0 | CC(O)C(CCN1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL214825 | 80544 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 7 | 2 | 3 | 6.0 | CC(O)C(CCN1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
10164316 | 154790 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL400196 | 154790 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
56683120 | 65805 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 6 | 2 | 7 | 3.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ncco4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834849 | 65805 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 6 | 2 | 7 | 3.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ncco4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
44449229 | 95146 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 538 | 7 | 1 | 3 | 5.6 | CN(C)CC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL255687 | 95146 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 538 | 7 | 1 | 3 | 5.6 | CN(C)CC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
44453134 | 98062 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL273195 | 98062 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
11155781 | 73807 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 476 | 10 | 4 | 4 | 4.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)Cc1nc2c(C(F)(F)F)cccc2[nH]1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018534 | 73807 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 476 | 10 | 4 | 4 | 4.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)Cc1nc2c(C(F)(F)F)cccc2[nH]1 | 10.1016/j.bmcl.2012.03.007 | |||
46241610 | 83568 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 548 | 7 | 3 | 6 | 3.6 | CC(C)(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
CHEMBL2204252 | 83568 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 548 | 7 | 3 | 6 | 3.6 | CC(C)(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
71519381 | 86371 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL2313765 | 86371 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
89823417 | 126343 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C#N)c2)C1 | nan | |||
CHEMBL3650392 | 126343 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C#N)c2)C1 | nan | |||
44442563 | 93732 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 9 | 3 | 5 | 2.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCOCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247211 | 93732 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 9 | 3 | 5 | 2.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCOCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
57344221 | 68955 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 568 | 8 | 3 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 | nan | |||
CHEMBL1922819 | 68955 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 568 | 8 | 3 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 | nan | |||
54772203 | 86589 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 4.0 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315931 | 86589 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 4.0 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
54771980 | 86592 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 4.0 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315934 | 86592 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 4.0 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
71190126 | 84899 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1007/s00044-010-9497-9 | |||
CHEMBL2236475 | 84899 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1007/s00044-010-9497-9 | |||
56643545 | 130621 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
CHEMBL3681870 | 130621 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
57344303 | 130646 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL3681894 | 130646 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
11591776 | 145484 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL391459 | 145484 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
11185 | 1989 | 42 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | 10.1021/jm300682j | |||
25134303 | 1989 | 42 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | 10.1021/jm300682j | |||
CHEMBL2178573 | 1989 | 42 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | 10.1021/jm300682j | |||
DB16066 | 1989 | 42 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | 10.1021/jm300682j | |||
11598084 | 75202 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 474 | 6 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036755 | 75202 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 474 | 6 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
10162782 | 73704 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018370 | 73704 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
70691784 | 73705 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 493 | 12 | 4 | 4 | 3.9 | CCCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018371 | 73705 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 493 | 12 | 4 | 4 | 3.9 | CCCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
46241010 | 83582 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 8 | 3 | 7 | 3.3 | CC(C)Oc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | |||
CHEMBL2204266 | 83582 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 8 | 3 | 7 | 3.3 | CC(C)Oc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | |||
49763568 | 65413 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829605 | 65413 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
56657930 | 65791 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 7 | 2 | 6 | 4.6 | CN(C)c1cccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)c1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834786 | 65791 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 7 | 2 | 6 | 4.6 | CN(C)c1cccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)c1 | 10.1016/j.bmcl.2011.08.074 | |||
56683116 | 65804 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.1 | CC(C)c1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834799 | 65804 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.1 | CC(C)c1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | |||
89845031 | 109811 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 533 | 8 | 1 | 6 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233183 | 109811 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 533 | 8 | 1 | 6 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | |||
9850318 | 95243 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL256154 | 95243 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
44425646 | 86098 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 6 | 1 | 2 | 7.1 | CCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231038 | 86098 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 6 | 1 | 2 | 7.1 | CCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
53317027 | 58664 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 435 | 4 | 1 | 5 | 3.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684683 | 58664 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 435 | 4 | 1 | 5 | 3.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | |||
44425645 | 86080 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230933 | 86080 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
10162782 | 73704 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL2018370 | 73704 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
11591776 | 145484 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL391459 | 145484 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
24801690 | 98039 | 25 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL273083 | 98039 | 25 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
10008367 | 2020 | 50 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | |||
777 | 2020 | 50 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1289316 | 2020 | 50 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL2426341 | 2020 | 50 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | |||
24801690 | 98039 | 25 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | |||
CHEMBL273083 | 98039 | 25 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | |||
57656833 | 75227 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036782 | 75227 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
68767109 | 109810 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 531 | 7 | 1 | 5 | 3.3 | Cc1ccc(C(=O)N[C@H]2CCN([C@H]3CC[C@@H](N(C)C(C)C)C[C@H]3CS(C)(=O)=O)C2=O)cc1C(F)(F)F | 10.1016/j.bmcl.2014.02.013 | |||
CHEMBL3233182 | 109810 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 531 | 7 | 1 | 5 | 3.3 | Cc1ccc(C(=O)N[C@H]2CCN([C@H]3CC[C@@H](N(C)C(C)C)C[C@H]3CS(C)(=O)=O)C2=O)cc1C(F)(F)F | 10.1016/j.bmcl.2014.02.013 | |||
57400451 | 70505 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1946830 | 70505 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | |||
44425249 | 143520 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL389888 | 143520 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
11192346 | 2022 | 57 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
9032 | 2022 | 57 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
CHEMBL2029422 | 2022 | 57 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | |||
10165625 | 73726 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 536 | 13 | 5 | 5 | 4.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018392 | 73726 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 536 | 13 | 5 | 5 | 4.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C | 10.1016/j.bmcl.2012.03.007 | |||
44453365 | 97525 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 465 | 7 | 4 | 6 | 2.0 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL270435 | 97525 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 465 | 7 | 4 | 6 | 2.0 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | |||
11227168 | 74548 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | |||
CHEMBL2029569 | 74548 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | |||
44573650 | 193208 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(O)C(F)(F)F)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL523503 | 193208 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(O)C(F)(F)F)C1 | 10.1007/s00044-010-9501-4 | |||
44425648 | 168702 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 6 | 1 | 2 | 7.1 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL436796 | 168702 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 6 | 1 | 2 | 7.1 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
44573649 | 187233 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL492569 | 187233 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | |||
67011331 | 74543 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029424 | 74543 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
44593563 | 193108 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL522688 | 193108 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
53324304 | 58462 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683067 | 58462 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
11387511 | 74539 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ccncc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029419 | 74539 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ccncc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
10167417 | 73723 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 591 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018389 | 73723 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 591 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 | 10.1016/j.bmcl.2012.03.007 | |||
44583281 | 188233 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL499467 | 188233 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
44425310 | 142356 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 651 | 8 | 3 | 5 | 6.8 | CNC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL388868 | 142356 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 651 | 8 | 3 | 5 | 6.8 | CNC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
11285792 | 878 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | |||
801 | 878 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | |||
CHEMBL2110727 | 878 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | |||
DB11758 | 878 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | |||
11285792 | 878 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | |||
801 | 878 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | |||
CHEMBL2110727 | 878 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | |||
DB11758 | 878 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | |||
11285792 | 878 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | |||
801 | 878 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | |||
CHEMBL2110727 | 878 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | |||
DB11758 | 878 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | |||
44573649 | 187233 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL492569 | 187233 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1007/s00044-010-9501-4 | |||
11534473 | 90697 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL239144 | 90697 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.ejmech.2010.04.024 | |||
71552261 | 86597 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 573 | 6 | 3 | 7 | 4.8 | O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315939 | 86597 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 573 | 6 | 3 | 7 | 4.8 | O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
11526729 | 155060 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1ccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL401744 | 155060 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1ccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
44448776 | 155254 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 572 | 6 | 3 | 5 | 5.7 | COC(=O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL402801 | 155254 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 572 | 6 | 3 | 5 | 5.7 | COC(=O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
57656825 | 75206 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 394 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036759 | 75206 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 394 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
46241608 | 83567 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 8 | 3 | 6 | 3.2 | CC(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
CHEMBL2204251 | 83567 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 8 | 3 | 6 | 3.2 | CC(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | |||
46886482 | 8257 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 8 | 4 | 6 | 5.4 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1092433 | 8257 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 8 | 4 | 6 | 5.4 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
10482463 | 95460 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccnn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL257160 | 95460 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccnn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | |||
11671120 | 89878 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 5.3 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm070902b | |||
CHEMBL237805 | 89878 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 5.3 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm070902b | |||
22310995 | 20328 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL130598 | 20328 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
17866152 | 124037 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 507 | 9 | 2 | 6 | 4.0 | CNc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL363059 | 124037 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 507 | 9 | 2 | 6 | 4.0 | CNc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | |||
44395239 | 66151 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 412 | 9 | 1 | 3 | 4.7 | O=C(CCCC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL184220 | 66151 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 412 | 9 | 1 | 3 | 4.7 | O=C(CCCC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | |||
46886056 | 8396 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 607 | 10 | 1 | 5 | 5.2 | CCCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1093318 | 8396 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 607 | 10 | 1 | 5 | 5.2 | CCCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
11466237 | 74536 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1cccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml200199c | |||
CHEMBL2029416 | 74536 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1cccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml200199c | |||
52944966 | 19038 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 579 | 9 | 2 | 4 | 5.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1288324 | 19038 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 579 | 9 | 2 | 4 | 5.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 | 10.1016/j.bmcl.2010.10.020 | |||
44573609 | 187551 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2O)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494542 | 187551 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2O)C1 | 10.1016/j.bmcl.2008.12.050 | |||
44593564 | 187230 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL492564 | 187230 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1007/s00044-010-9501-4 | |||
11296618 | 77642 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 632 | 9 | 2 | 6 | 6.3 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(-c3cccs3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088384 | 77642 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 632 | 9 | 2 | 6 | 6.3 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(-c3cccs3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
89823450 | 126344 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 562 | 4 | 0 | 4 | 6.2 | N#Cc1ccc(C(F)(F)F)cc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | |||
CHEMBL3650393 | 126344 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 562 | 4 | 0 | 4 | 6.2 | N#Cc1ccc(C(F)(F)F)cc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | |||
56678497 | 65716 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 4.5 | O=C(COc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834581 | 65716 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 4.5 | O=C(COc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
54754845 | 65749 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 3 | 6 | 1.8 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(N)=O)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834642 | 65749 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 3 | 6 | 1.8 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(N)=O)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
44444102 | 94033 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 5 | 1 | 3 | 5.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL248813 | 94033 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 5 | 1 | 3 | 5.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
44425321 | 86134 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 740 | 10 | 2 | 5 | 9.0 | CC(C(=O)Nc1nc(C(CCN2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL231150 | 86134 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 740 | 10 | 2 | 5 | 9.0 | CC(C(=O)Nc1nc(C(CCN2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | |||
11582651 | 75201 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 424 | 5 | 1 | 3 | 4.3 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036754 | 75201 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 424 | 5 | 1 | 3 | 4.3 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
46944855 | 65432 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccncc3O)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829625 | 65432 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccncc3O)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
44439170 | 151919 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 16 | 1 | 5 | 8.6 | CCCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL396622 | 151919 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 16 | 1 | 5 | 8.6 | CCCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
44444107 | 154482 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 500 | 5 | 0 | 2 | 6.2 | O=C(/C=C/c1ccc(Br)cc1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL399046 | 154482 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 500 | 5 | 0 | 2 | 6.2 | O=C(/C=C/c1ccc(Br)cc1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | |||
44413311 | 77781 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 8 | 2 | 3 | 4.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL209171 | 77781 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 8 | 2 | 3 | 4.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
89823456 | 124409 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)cc(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3639492 | 124409 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)cc(C(F)(F)F)c2)C1 | nan | |||
11605985 | 90965 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 13 | 1 | 4 | 6.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL239569 | 90965 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 13 | 1 | 4 | 6.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
11605985 | 90965 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 13 | 1 | 4 | 6.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL239569 | 90965 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 13 | 1 | 4 | 6.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
44416070 | 138891 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 623 | 8 | 4 | 4 | 4.0 | O=C1NCC(C(=O)NC(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL378258 | 138891 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 623 | 8 | 4 | 4 | 4.0 | O=C1NCC(C(=O)NC(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 | 10.1016/j.bmcl.2006.07.011 | |||
89823427 | 126308 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 | nan | |||
CHEMBL3650358 | 126308 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 | nan | |||
11296325 | 77619 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 596 | 9 | 2 | 6 | 5.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088209 | 77619 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 596 | 9 | 2 | 6 | 5.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | |||
71530223 | 86370 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313764 | 86370 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
53320171 | 58474 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683079 | 58474 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
54756156 | 65783 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 9 | 2 | 7 | 3.6 | C=CCn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)OCC)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834779 | 65783 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 9 | 2 | 7 | 3.6 | C=CCn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)OCC)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
44453325 | 155539 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1O | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL404269 | 155539 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1O | 10.1016/j.bmcl.2008.02.015 | |||
56675300 | 65753 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 411 | 5 | 4 | 5 | 2.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834646 | 65753 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 411 | 5 | 4 | 5 | 2.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
44442572 | 93540 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 506 | 10 | 4 | 4 | 3.2 | CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246403 | 93540 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 506 | 10 | 4 | 4 | 3.2 | CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | |||
24801342 | 97613 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 517 | 8 | 3 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 | 10.1021/jm701488f | |||
CHEMBL270957 | 97613 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 517 | 8 | 3 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 | 10.1021/jm701488f | |||
46240582 | 83571 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 479 | 6 | 3 | 6 | 1.8 | Cn1ccnc1[C@]1(O)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1021/ml300260s | |||
CHEMBL2204255 | 83571 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 479 | 6 | 3 | 6 | 1.8 | Cn1ccnc1[C@]1(O)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1021/ml300260s | |||
57403877 | 70523 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 539 | 10 | 3 | 5 | 3.6 | CCCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1947043 | 70523 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 539 | 10 | 3 | 5 | 3.6 | CCCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | |||
785 | 3773 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | |||
52950180 | 19348 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 10 | 2 | 4 | 5.1 | CCCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1290754 | 19348 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 10 | 2 | 4 | 5.1 | CCCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | |||
89823537 | 126296 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650346 | 126296 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
10115566 | 97409 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 4.3 | Cc1ccc(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
CHEMBL269898 | 97409 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 4.3 | Cc1ccc(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
56681842 | 65714 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 472 | 5 | 2 | 4 | 3.9 | O=C(Cn1[nH]c2ccc(C(F)(F)F)cc2c1=O)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834579 | 65714 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 472 | 5 | 2 | 4 | 3.9 | O=C(Cn1[nH]c2ccc(C(F)(F)F)cc2c1=O)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
127025159 | 137349 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 3 | 1 | 3 | 3.7 | C[C@H]1CC=C(C(=O)NS(C)(=O)=O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3752915 | 137349 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 3 | 1 | 3 | 3.7 | C[C@H]1CC=C(C(=O)NS(C)(=O)=O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
56661444 | 65773 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 614 | 6 | 3 | 8 | 5.1 | CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834717 | 65773 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 614 | 6 | 3 | 8 | 5.1 | CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
23405932 | 93730 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 532 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(F)(F)F)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247209 | 93730 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 532 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(F)(F)F)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
89823506 | 126334 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650384 | 126334 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | |||
44573485 | 187719 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL495368 | 187719 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 | 10.1007/s00044-010-9501-4 | |||
127036603 | 137510 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1ccc(C)c([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3754155 | 137510 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1ccc(C)c([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | |||
24801346 | 161247 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 6 | 3 | 3 | 3.6 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | |||
CHEMBL411935 | 161247 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 6 | 3 | 3 | 3.6 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | |||
508749 | 67121 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 7 | 2 | 3 | 3.4 | Cc1cccc(C(=O)NCC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL187469 | 67121 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 7 | 2 | 3 | 3.4 | Cc1cccc(C(=O)NCC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
57656701 | 75229 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 2 | 1 | 4 | 1.9 | CN1CCN(C)C(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036784 | 75229 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 2 | 1 | 4 | 1.9 | CN1CCN(C)C(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
10225909 | 93959 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 451 | 9 | 4 | 4 | 2.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL248417 | 93959 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 451 | 9 | 4 | 4 | 2.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
57344222 | 130634 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 545 | 8 | 4 | 5 | 4.8 | CCOC(=O)c1ccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | nan | |||
CHEMBL3681882 | 130634 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 545 | 8 | 4 | 5 | 4.8 | CCOC(=O)c1ccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | nan | |||
44425649 | 86127 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231142 | 86127 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
68004146 | 86586 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 530 | 7 | 3 | 8 | 3.1 | COc1cccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315928 | 86586 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 530 | 7 | 3 | 8 | 3.1 | COc1cccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2012.12.017 | |||
54756045 | 65786 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 510 | 7 | 3 | 8 | 2.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834781 | 65786 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 510 | 7 | 3 | 8 | 2.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
56671793 | 65794 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 486 | 6 | 2 | 6 | 3.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834789 | 65794 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 486 | 6 | 2 | 6 | 3.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
44573452 | 187605 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494770 | 187605 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
10427222 | 165739 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2cc(F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL424638 | 165739 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2cc(F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
46886057 | 8397 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 639 | 9 | 1 | 6 | 5.5 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1093319 | 8397 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 639 | 9 | 1 | 6 | 5.5 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | |||
72945827 | 105226 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 588 | 5 | 1 | 7 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115102 | 105226 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 588 | 5 | 1 | 7 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
44442531 | 153943 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL398353 | 153943 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
71519052 | 86393 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(OC(C)C)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314050 | 86393 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(OC(C)C)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
44442584 | 93549 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 534 | 12 | 4 | 4 | 4.0 | CCCCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246413 | 93549 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 534 | 12 | 4 | 4 | 4.0 | CCCCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | |||
11590644 | 121221 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 11 | 4 | 4 | 3.3 | CCC[C@H](O)[C@H](CNCC1CCCCC1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577931 | 121221 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 11 | 4 | 4 | 3.3 | CCC[C@H](O)[C@H](CNCC1CCCCC1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
72948000 | 105222 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 601 | 6 | 2 | 6 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115099 | 105222 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 601 | 6 | 2 | 6 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
46240585 | 83581 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 524 | 7 | 3 | 6 | 3.6 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | |||
CHEMBL2204265 | 83581 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 524 | 7 | 3 | 6 | 3.6 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | |||
44425643 | 86040 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230722 | 86040 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
70697571 | 77973 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL2096788 | 77973 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
57398651 | 70518 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 6 | 3 | 3 | 2.9 | CC(C)N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1947039 | 70518 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 6 | 3 | 3 | 2.9 | CC(C)N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | |||
44416273 | 138939 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL378449 | 138939 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
90656015 | 111104 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 501 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2[S+]([O-])CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263262 | 111104 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 501 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2[S+]([O-])CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
44413344 | 139336 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 489 | 8 | 2 | 4 | 4.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCOCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL379278 | 139336 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 489 | 8 | 2 | 4 | 4.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCOCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
44353369 | 23241 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 315 | 4 | 1 | 3 | 4.1 | COc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL133168 | 23241 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 315 | 4 | 1 | 3 | 4.1 | COc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2003.10.049 | |||
44612708 | 137434 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@@H]1CC=C(C(=O)O)[C@@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753526 | 137434 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@@H]1CC=C(C(=O)O)[C@@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
57344219 | 130632 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 545 | 8 | 4 | 5 | 4.8 | CCOC(=O)c1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1 | nan | |||
CHEMBL3681880 | 130632 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 545 | 8 | 4 | 5 | 4.8 | CCOC(=O)c1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1 | nan | |||
71517574 | 86385 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 4 | 2 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313779 | 86385 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 4 | 2 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
57656921 | 75211 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036764 | 75211 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
46842383 | 8343 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1092929 | 8343 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
72946010 | 105228 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 582 | 5 | 1 | 7 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115104 | 105228 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 582 | 5 | 1 | 7 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
71517573 | 86384 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 4 | 2 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313778 | 86384 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 4 | 2 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
57393530 | 70506 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1946831 | 70506 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
44453372 | 155742 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 7 | 2 | 3 | 3.4 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL405633 | 155742 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 7 | 2 | 3 | 3.4 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | |||
71768798 | 111099 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 4 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(C)(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263257 | 111099 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 4 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(C)(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
9851741 | 80191 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm060439n | |||
CHEMBL213601 | 80191 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm060439n | |||
67774475 | 130656 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 488 | 6 | 4 | 4 | 4.3 | Cc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1 | nan | |||
CHEMBL3681903 | 130656 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 488 | 6 | 4 | 4 | 4.3 | Cc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1 | nan | |||
44444105 | 94070 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 482 | 7 | 0 | 4 | 5.5 | COc1ccc(/C=C/C(=O)N2CCC(CN3CCC(c4ccc(Cl)cc4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249009 | 94070 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 482 | 7 | 0 | 4 | 5.5 | COc1ccc(/C=C/C(=O)N2CCC(CN3CCC(c4ccc(Cl)cc4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.07.065 | |||
44413158 | 79969 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 437 | 8 | 2 | 4 | 3.8 | CN(C)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL212674 | 79969 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 437 | 8 | 2 | 4 | 3.8 | CN(C)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1 | 10.1016/j.bmcl.2006.04.045 | |||
89823541 | 126321 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650371 | 126321 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 | nan | |||
11699524 | 95108 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL255499 | 95108 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
11605635 | 95462 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 493 | 6 | 2 | 3 | 4.9 | O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL257173 | 95462 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 493 | 6 | 2 | 3 | 4.9 | O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
11534473 | 90697 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL239144 | 90697 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | |||
54754969 | 65738 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 515 | 6 | 3 | 6 | 4.2 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834632 | 65738 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 515 | 6 | 3 | 6 | 4.2 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
56675205 | 65793 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 6 | 3 | 5 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834788 | 65793 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 6 | 3 | 5 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | |||
44447783 | 95074 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 556 | 6 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL255312 | 95074 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 556 | 6 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
10325032 | 95113 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 541 | 6 | 1 | 3 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL255513 | 95113 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 541 | 6 | 1 | 3 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
44447782 | 155311 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 570 | 7 | 1 | 3 | 7.4 | COc1cccc(C2CCN([C@@H]3CC[C@@](C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(C(C)C)C3)CC2)c1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL403033 | 155311 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 570 | 7 | 1 | 3 | 7.4 | COc1cccc(C2CCN([C@@H]3CC[C@@](C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(C(C)C)C3)CC2)c1 | 10.1016/j.bmcl.2007.12.029 | |||
10392978 | 167457 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 558 | 6 | 2 | 5 | 5.3 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL429849 | 167457 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 558 | 6 | 2 | 5 | 5.3 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
11421712 | 74541 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029421 | 74541 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
11365166 | 74542 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029423 | 74542 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
44593564 | 187230 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL492564 | 187230 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | |||
22143293 | 188025 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL497577 | 188025 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
44453368 | 97765 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 449 | 6 | 4 | 5 | 2.3 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL271725 | 97765 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 449 | 6 | 4 | 5 | 2.3 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | |||
22143309 | 187939 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL496959 | 187939 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | |||
51039119 | 176215 | 33 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | |||
CHEMBL4594419 | 176215 | 33 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | |||
53325639 | 58468 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683073 | 58468 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
44580591 | 187857 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL496344 | 187857 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | |||
44425649 | 86127 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231142 | 86127 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
22143293 | 188025 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL497577 | 188025 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
11700079 | 149921 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 618 | 8 | 3 | 5 | 4.5 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | |||
CHEMBL394955 | 149921 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 618 | 8 | 3 | 5 | 4.5 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | |||
10129343 | 173263 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL452509 | 173263 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
44425640 | 96927 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 576 | 5 | 1 | 2 | 7.6 | C[C@H]1CN(C2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL266017 | 96927 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 576 | 5 | 1 | 2 | 7.6 | C[C@H]1CN(C2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
44425309 | 142355 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL388867 | 142355 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
53324942 | 58676 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684701 | 58676 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
60148505 | 111108 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263268 | 111108 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
57335017 | 70336 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1944776 | 70336 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
57391591 | 70338 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 637 | 10 | 4 | 6 | 3.8 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1944778 | 70338 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 637 | 10 | 4 | 6 | 3.8 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
162668957 | 182758 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4790208 | 182758 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
71768900 | 111112 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 470 | 4 | 1 | 6 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263272 | 111112 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 470 | 4 | 1 | 6 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
10209478 | 73719 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 551 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018385 | 73719 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 551 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC | 10.1016/j.bmcl.2012.03.007 | |||
10300284 | 73730 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018396 | 73730 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
11752457 | 74537 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml200199c | |||
CHEMBL2029417 | 74537 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml200199c | |||
69285563 | 121226 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 443 | 8 | 2 | 4 | 3.1 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
CHEMBL3577936 | 121226 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 443 | 8 | 2 | 4 | 3.1 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | |||
44442561 | 93537 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 504 | 11 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC2CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246399 | 93537 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 504 | 11 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC2CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
57344305 | 68937 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL1922797 | 68937 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
10207591 | 73415 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 507 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2016596 | 73415 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 507 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
44571216 | 172650 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 757 | 11 | 5 | 8 | 6.3 | CSc1ccc(C(=O)NC2CCC(NC(=O)OCc3ccccc3)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL449674 | 172650 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 757 | 11 | 5 | 8 | 6.3 | CSc1ccc(C(=O)NC2CCC(NC(=O)OCc3ccccc3)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
67772854 | 130635 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 542 | 7 | 3 | 5 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1 | nan | |||
CHEMBL3681883 | 130635 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 542 | 7 | 3 | 5 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1 | nan | |||
44415957 | 81052 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215391 | 81052 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
22310876 | 116922 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 396 | 4 | 1 | 4 | 3.7 | CS(=O)(=O)NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL338495 | 116922 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 396 | 4 | 1 | 4 | 3.7 | CS(=O)(=O)NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
71519381 | 86371 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313765 | 86371 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
49763804 | 65423 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 528 | 7 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(N4CCCC4)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829616 | 65423 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 528 | 7 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(N4CCCC4)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
44571258 | 183249 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 8 | 3 | 4 | 4.5 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL479643 | 183249 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 8 | 3 | 4 | 4.5 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2008.12.062 | |||
44439163 | 90292 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL238518 | 90292 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | |||
785 | 3773 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | |||
44453234 | 97469 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 489 | 7 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL270182 | 97469 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 489 | 7 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
127025462 | 137360 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 404 | 4 | 1 | 2 | 5.9 | CC(C)(C)OC[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753005 | 137360 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 404 | 4 | 1 | 2 | 5.9 | CC(C)(C)OC[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
86767119 | 129400 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 439 | 3 | 1 | 5 | 2.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)C12CCOC1CC(NC1CCOCC1)C2 | nan | |||
CHEMBL3671252 | 129400 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 439 | 3 | 1 | 5 | 2.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)C12CCOC1CC(NC1CCOCC1)C2 | nan | |||
76314242 | 105251 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 5 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115268 | 105251 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 5 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
44439163 | 90292 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL238518 | 90292 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
46240482 | 83575 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1021/ml300260s | |||
CHEMBL2204259 | 83575 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1021/ml300260s | |||
44447786 | 95112 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 584 | 7 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL255511 | 95112 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 584 | 7 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
71768721 | 111117 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 439 | 3 | 1 | 5 | 2.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263279 | 111117 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 439 | 3 | 1 | 5 | 2.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2014.03.036 | |||
122178127 | 121218 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 541 | 12 | 4 | 4 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CCc2ccccc2)c(C)c1 | 10.1021/ml500505q | |||
CHEMBL3577928 | 121218 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 541 | 12 | 4 | 4 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CCc2ccccc2)c(C)c1 | 10.1021/ml500505q | |||
72946202 | 105238 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 5 | 1 | 6 | 2.5 | CCN1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115114 | 105238 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 5 | 1 | 6 | 2.5 | CCN1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
54755083 | 65742 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 6 | 3 | 6 | 3.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834636 | 65742 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 6 | 3 | 6 | 3.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | |||
44425636 | 85946 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 590 | 6 | 1 | 2 | 8.0 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230078 | 85946 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 590 | 6 | 1 | 2 | 8.0 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
44573412 | 187425 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 6 | 2 | 2 | 6.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL493780 | 187425 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 6 | 2 | 2 | 6.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 | 10.1007/s00044-010-9501-4 | |||
44453565 | 169005 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL439252 | 169005 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | |||
10138789 | 166507 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL427875 | 166507 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44573535 | 187436 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 6 | 2 | 4 | 4.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCS(=O)(=O)CC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL493843 | 187436 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 6 | 2 | 4 | 4.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCS(=O)(=O)CC2)C1 | 10.1007/s00044-010-9501-4 | |||
44573535 | 187436 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 6 | 2 | 4 | 4.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCS(=O)(=O)CC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL493843 | 187436 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 6 | 2 | 4 | 4.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCS(=O)(=O)CC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
11563597 | 91951 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 632 | 13 | 1 | 4 | 8.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL241462 | 91951 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 632 | 13 | 1 | 4 | 8.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
11563597 | 91951 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 632 | 13 | 1 | 4 | 8.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL241462 | 91951 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 632 | 13 | 1 | 4 | 8.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
57344315 | 68939 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 8 | 2 | 5 | 3.9 | COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 | nan | |||
CHEMBL1922799 | 68939 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 8 | 2 | 5 | 3.9 | COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 | nan | |||
72947595 | 105219 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 4 | 2 | 6 | 1.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115096 | 105219 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 4 | 2 | 6 | 1.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
57656713 | 75203 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 7 | 1 | 3 | 5.5 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036756 | 75203 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 7 | 1 | 3 | 5.5 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
11711078 | 75218 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 2.9 | CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036773 | 75218 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 2.9 | CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
10183362 | 73703 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 10 | 4 | 4 | 3.1 | CC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018369 | 73703 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 10 | 4 | 4 | 3.1 | CC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
10392559 | 155037 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccnnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
CHEMBL401609 | 155037 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccnnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | |||
44425637 | 85985 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230405 | 85985 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
44573412 | 187425 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 6 | 2 | 2 | 6.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL493780 | 187425 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 6 | 2 | 2 | 6.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
24801523 | 97853 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | |||
CHEMBL272168 | 97853 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | |||
22310972 | 116776 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2c(-c3ccccc3)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL337720 | 116776 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2c(-c3ccccc3)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
44395092 | 127285 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 522 | 8 | 4 | 7 | 2.9 | Cc1csc(C(=O)NNC(=O)CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)c1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL365853 | 127285 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 522 | 8 | 4 | 7 | 2.9 | Cc1csc(C(=O)NNC(=O)CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)c1 | 10.1016/j.bmcl.2004.08.008 | |||
10208555 | 73710 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018376 | 73710 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
10208555 | 73710 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 | 10.1021/ml500505q | |||
CHEMBL2018376 | 73710 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 | 10.1021/ml500505q | |||
44395201 | 66419 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 3.5 | O=C(CCNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL185190 | 66419 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 3.5 | O=C(CCNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | |||
57344313 | 130655 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 4.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | |||
CHEMBL3681902 | 130655 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 4.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | |||
44415927 | 80853 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215271 | 80853 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
44453473 | 155537 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 6 | 3 | 4 | 2.8 | Nc1ccc(Br)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL404260 | 155537 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 6 | 3 | 4 | 2.8 | Nc1ccc(Br)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
25008678 | 94150 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249414 | 94150 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
11570431 | 91980 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL241502 | 91980 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
44439173 | 90705 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 650 | 13 | 1 | 4 | 8.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL239145 | 90705 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 650 | 13 | 1 | 4 | 8.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.10.060 | |||
52947417 | 19306 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN(C2CCN(c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1290522 | 19306 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN(C2CCN(c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | |||
72946199 | 105231 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 610 | 6 | 1 | 8 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115107 | 105231 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 610 | 6 | 1 | 8 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
10206007 | 73706 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 479 | 10 | 4 | 4 | 3.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)C(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018372 | 73706 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 479 | 10 | 4 | 4 | 3.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)C(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
11237168 | 74529 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029409 | 74529 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
10302973 | 93550 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 556 | 10 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246415 | 93550 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 556 | 10 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44442589 | 93769 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 607 | 11 | 5 | 6 | 4.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247439 | 93769 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 607 | 11 | 5 | 6 | 4.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44423281 | 142113 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.4 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCC(N2CCC(c3ccccc3)CC2)C1 | 10.1021/jm070166b | |||
CHEMBL388308 | 142113 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.4 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCC(N2CCC(c3ccccc3)CC2)C1 | 10.1021/jm070166b | |||
44425641 | 86064 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230832 | 86064 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
86698129 | 126302 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 522 | 5 | 0 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650352 | 126302 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 522 | 5 | 0 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
46240481 | 83584 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 477 | 6 | 3 | 6 | 1.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml300260s | |||
CHEMBL2204269 | 83584 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 477 | 6 | 3 | 6 | 1.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml300260s | |||
56668313 | 65789 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 535 | 8 | 2 | 7 | 4.5 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C4CCCC4)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834784 | 65789 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 535 | 8 | 2 | 7 | 4.5 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C4CCCC4)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
44353370 | 23764 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 330 | 4 | 1 | 4 | 3.9 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL133569 | 23764 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 330 | 4 | 1 | 4 | 3.9 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2003.10.049 | |||
11678573 | 90637 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL238936 | 90637 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
53324141 | 58465 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683070 | 58465 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
11340816 | 74533 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ncccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029413 | 74533 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ncccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
10182382 | 93960 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL248418 | 93960 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
11678573 | 90637 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL238936 | 90637 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
44395055 | 64502 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL181432 | 64502 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
44415995 | 80050 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 621 | 7 | 1 | 3 | 6.7 | CC(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL212972 | 80050 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 621 | 7 | 1 | 3 | 6.7 | CC(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | |||
23656260 | 89070 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 501 | 7 | 2 | 4 | 4.8 | COc1ccc(/C=C/C(=O)N2CCC(C(C(=O)O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1021/jm070902b | |||
CHEMBL236509 | 89070 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 501 | 7 | 2 | 4 | 4.8 | COc1ccc(/C=C/C(=O)N2CCC(C(C(=O)O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1021/jm070902b | |||
46842382 | 8341 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1092920 | 8341 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
508744 | 66213 | 1 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 385 | 7 | 2 | 3 | 2.9 | O=C(CNC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL184474 | 66213 | 1 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 385 | 7 | 2 | 3 | 2.9 | O=C(CNC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
127025160 | 137423 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 4.6 | C[C@H]1CC=C(C(=O)NS(=O)(=O)C(F)(F)F)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753428 | 137423 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 4.6 | C[C@H]1CC=C(C(=O)NS(=O)(=O)C(F)(F)F)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
57344316 | 68932 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 7 | 4 | 4 | 5.0 | O=C(NO)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL1922792 | 68932 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 7 | 4 | 4 | 5.0 | O=C(NO)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
57344230 | 130640 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 6 | 4 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 | nan | |||
CHEMBL3681888 | 130640 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 6 | 4 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 | nan | |||
11080 | 29083 | 79 | None | -1 | 6 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | |||
CHEMBL1381098 | 29083 | 79 | None | -1 | 6 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | |||
9851741 | 80191 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL213601 | 80191 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
44425654 | 86228 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231247 | 86228 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
53321484 | 58475 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683080 | 58475 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
44442580 | 93545 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246409 | 93545 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.07.028 | |||
44413310 | 138957 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 475 | 10 | 2 | 3 | 5.0 | CCN(CC)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL378517 | 138957 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 475 | 10 | 2 | 3 | 5.0 | CCN(CC)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
72948004 | 105256 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 578 | 5 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115273 | 105256 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 578 | 5 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
57656719 | 75214 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036767 | 75214 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
54580189 | 62567 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 505 | 6 | 1 | 8 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)ns3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782575 | 62567 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 505 | 6 | 1 | 8 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)ns3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
23656433 | 88761 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL236269 | 88761 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
72945830 | 105225 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 526 | 4 | 1 | 7 | 2.2 | COC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115101 | 105225 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 526 | 4 | 1 | 7 | 2.2 | COC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
67220645 | 75228 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 2 | 2 | 4 | 1.6 | CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036783 | 75228 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 2 | 2 | 4 | 1.6 | CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
127027955 | 137251 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 278 | 2 | 1 | 1 | 4.3 | Cc1cc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)ccc1Cl | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3751958 | 137251 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 278 | 2 | 1 | 1 | 4.3 | Cc1cc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)ccc1Cl | 10.1016/j.bmcl.2015.11.051 | |||
44415898 | 81119 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215654 | 81119 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
11478362 | 73805 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 547 | 11 | 4 | 4 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018532 | 73805 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 547 | 11 | 4 | 4 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
44453592 | 160053 | 24 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 405 | 6 | 2 | 3 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL410829 | 160053 | 24 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 405 | 6 | 2 | 3 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
44442582 | 93547 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 3.3 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1C | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246411 | 93547 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 3.3 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1C | 10.1016/j.bmcl.2007.07.028 | |||
9952114 | 124382 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1cccc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL363908 | 124382 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1cccc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
71518408 | 86401 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.2 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314058 | 86401 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.2 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
54772206 | 86588 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 514 | 7 | 2 | 7 | 4.0 | COc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315930 | 86588 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 514 | 7 | 2 | 7 | 4.0 | COc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | |||
54772204 | 86590 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 3 | 7 | 3.7 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315932 | 86590 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 3 | 7 | 3.7 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
54772205 | 86593 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 499 | 6 | 3 | 6 | 4.3 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3O)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315935 | 86593 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 499 | 6 | 3 | 6 | 4.3 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3O)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
72663455 | 129399 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
CHEMBL3671251 | 129399 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
11599317 | 95558 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | COc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL257628 | 95558 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | COc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | |||
53324304 | 58462 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683067 | 58462 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
10228435 | 73715 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018381 | 73715 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | |||
46927117 | 65426 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829619 | 65426 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | |||
56661451 | 65796 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834791 | 65796 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | |||
44573699 | 187672 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.8 | CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL495151 | 187672 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.8 | CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
11306757 | 73735 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018401 | 73735 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
57391765 | 71013 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnn3)CC2)C1 | 10.1021/ml200030q | |||
CHEMBL1951774 | 71013 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnn3)CC2)C1 | 10.1021/ml200030q | |||
44425244 | 151802 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 594 | 7 | 2 | 5 | 6.6 | Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL396517 | 151802 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 594 | 7 | 2 | 5 | 6.6 | Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
23630215 | 62542 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782376 | 62542 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | |||
10120067 | 73727 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 12 | 5 | 5 | 4.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018393 | 73727 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 12 | 5 | 5 | 4.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | |||
52943756 | 19288 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1290412 | 19288 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | |||
44425274 | 150856 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 640 | 10 | 2 | 5 | 7.4 | CC(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL395721 | 150856 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 640 | 10 | 2 | 5 | 7.4 | CC(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
24801690 | 98039 | 25 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | |||
CHEMBL273083 | 98039 | 25 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | |||
44425647 | 86099 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL231039 | 86099 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44423282 | 85272 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 4 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm070166b | |||
CHEMBL226017 | 85272 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 4 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm070166b | |||
162648673 | 179948 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 6 | 3 | 7 | 3.4 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(OC(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
CHEMBL4746510 | 179948 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 6 | 3 | 7 | 3.4 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(OC(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | |||
44425633 | 86039 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230721 | 86039 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44570718 | 183831 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 533 | 9 | 4 | 5 | 3.2 | CC(=O)Nc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL480621 | 183831 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 533 | 9 | 4 | 5 | 3.2 | CC(=O)Nc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
11621035 | 154666 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 559 | 6 | 2 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3cc(Cl)ccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL399616 | 154666 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 559 | 6 | 2 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3cc(Cl)ccc23)CC1 | 10.1021/jm070902b | |||
10052388 | 187550 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 7 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C2CC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL494541 | 187550 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 7 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C2CC2)C1 | 10.1007/s00044-010-9501-4 | |||
57391768 | 71011 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncn3)CC2)C1 | 10.1021/ml200030q | |||
CHEMBL1951772 | 71011 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncn3)CC2)C1 | 10.1021/ml200030q | |||
44573608 | 187549 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494540 | 187549 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | |||
11180383 | 77621 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 8 | 2 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
CHEMBL2088211 | 77621 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 8 | 2 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | |||
22143294 | 193424 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL526091 | 193424 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | |||
49763686 | 65422 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(C(=O)O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829615 | 65422 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(C(=O)O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | |||
508750 | 168533 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 467 | 7 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL435499 | 168533 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 467 | 7 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | |||
127028586 | 137505 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 264 | 2 | 1 | 1 | 4.0 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3754119 | 137505 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 264 | 2 | 1 | 1 | 4.0 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
11844468 | 139594 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.3 | C[C@@H]1CN(CC[C@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 | 10.1021/jm060439n | |||
CHEMBL379742 | 139594 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.3 | C[C@@H]1CN(CC[C@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 | 10.1021/jm060439n | |||
44395088 | 67169 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL187701 | 67169 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
10209102 | 93536 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 11 | 4 | 4 | 3.6 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246398 | 93536 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 11 | 4 | 4 | 3.6 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
57344320 | 130641 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 527 | 6 | 4 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL3681889 | 130641 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 527 | 6 | 4 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)CC1 | nan | |||
72948001 | 105220 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 525 | 4 | 2 | 6 | 1.8 | CNC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115097 | 105220 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 525 | 4 | 2 | 6 | 1.8 | CNC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
46241611 | 83563 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1cccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml300260s | |||
CHEMBL2204247 | 83563 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1cccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml300260s | |||
57344232 | 130642 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 519 | 7 | 4 | 4 | 5.3 | CSc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1 | nan | |||
CHEMBL3681890 | 130642 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 519 | 7 | 4 | 4 | 5.3 | CSc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1 | nan | |||
44395126 | 65411 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL182958 | 65411 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
44395126 | 65411 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL182958 | 65411 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.009 | |||
57656915 | 75217 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 342 | 4 | 1 | 3 | 2.7 | O=C(Nc1ccccc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036772 | 75217 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 342 | 4 | 1 | 3 | 2.7 | O=C(Nc1ccccc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
11341950 | 73804 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 557 | 11 | 4 | 4 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018531 | 73804 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 557 | 11 | 4 | 4 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | |||
42632836 | 93384 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL245696 | 93384 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
68004094 | 86599 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 6 | 3 | 7 | 3.8 | O=C(CNc1ccnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315941 | 86599 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 6 | 3 | 7 | 3.8 | O=C(CNc1ccnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | |||
57396900 | 70520 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 3.2 | CC(C)N(C)[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1947040 | 70520 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 3.2 | CC(C)N(C)[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | |||
44416041 | 80430 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL214647 | 80430 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
44416015 | 81131 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215689 | 81131 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
44413144 | 139217 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL378784 | 139217 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | |||
44413144 | 139217 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
CHEMBL378784 | 139217 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
23656434 | 89616 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL237538 | 89616 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
44442569 | 93733 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 556 | 10 | 4 | 6 | 2.0 | CC(C)(C)NC(=O)[C@H](CNCc1ccc(S(C)(=O)=O)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247213 | 93733 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 556 | 10 | 4 | 6 | 2.0 | CC(C)(C)NC(=O)[C@H](CNCc1ccc(S(C)(=O)=O)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44415958 | 80497 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 578 | 7 | 1 | 2 | 8.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL214747 | 80497 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 578 | 7 | 1 | 2 | 8.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 | 10.1016/j.bmcl.2006.07.011 | |||
11563451 | 151916 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL396621 | 151916 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
44453533 | 97878 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 420 | 6 | 3 | 4 | 2.7 | Nc1ccc(Cl)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL272330 | 97878 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 420 | 6 | 3 | 4 | 2.7 | Nc1ccc(Cl)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
10008367 | 2020 | 50 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | |||
777 | 2020 | 50 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1289316 | 2020 | 50 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL2426341 | 2020 | 50 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | |||
11563451 | 151916 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL396621 | 151916 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
44425321 | 86134 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 740 | 10 | 2 | 5 | 9.0 | CC(C(=O)Nc1nc(C(CCN2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL231150 | 86134 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 740 | 10 | 2 | 5 | 9.0 | CC(C(=O)Nc1nc(C(CCN2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | |||
44425651 | 143175 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 530 | 6 | 1 | 3 | 6.0 | COCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL389610 | 143175 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 530 | 6 | 1 | 3 | 6.0 | COCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
56643545 | 130622 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
CHEMBL3681871 | 130622 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | |||
10025168 | 66984 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 2.7 | Cc1csc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL186855 | 66984 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 2.7 | Cc1csc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.008 | |||
10025168 | 66984 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 2.7 | Cc1csc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL186855 | 66984 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 2.7 | Cc1csc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
44395036 | 125050 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.2 | O=C(CCNC(=O)c1ccccc1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL364405 | 125050 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.2 | O=C(CCNC(=O)c1ccccc1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
127027625 | 137252 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 2 | 1 | 1 | 5.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3751959 | 137252 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 2 | 1 | 1 | 5.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
22143293 | 188025 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL497577 | 188025 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
57343816 | 130625 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 | nan | |||
CHEMBL3681874 | 130625 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 | nan | |||
53320974 | 58690 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 464 | 4 | 1 | 4 | 2.8 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)N2CCCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684715 | 58690 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 464 | 4 | 1 | 4 | 2.8 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)N2CCCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | |||
57344314 | 68928 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL1922788 | 68928 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
44442564 | 93538 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 492 | 9 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL246400 | 93538 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 492 | 9 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | |||
46842236 | 7865 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 598 | 8 | 2 | 4 | 4.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1089849 | 7865 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 598 | 8 | 2 | 4 | 4.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
44413411 | 77736 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL209002 | 77736 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2006.04.045 | |||
44453507 | 168976 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 531 | 7 | 2 | 3 | 5.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL439062 | 168976 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 531 | 7 | 2 | 3 | 5.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
69286108 | 121231 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 9 | 2 | 4 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 | 10.1021/ml500505q | |||
CHEMBL3577941 | 121231 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 9 | 2 | 4 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 | 10.1021/ml500505q | |||
71518574 | 86389 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313784 | 86389 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
89823496 | 126313 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 3.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650363 | 126313 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 3.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 | nan | |||
89823439 | 126297 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650347 | 126297 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
44573568 | 187468 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL494019 | 187468 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1007/s00044-010-9501-4 | |||
44439164 | 90771 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 13 | 4 | 7 | 5.1 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL239169 | 90771 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 13 | 4 | 7 | 5.1 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
44439164 | 90771 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 13 | 4 | 7 | 5.1 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL239169 | 90771 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 13 | 4 | 7 | 5.1 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
44573650 | 193208 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL523503 | 193208 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | |||
10323468 | 187670 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC1CC(N[C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C2)CCO1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL495149 | 187670 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC1CC(N[C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C2)CCO1 | 10.1007/s00044-010-9501-4 | |||
72948001 | 105220 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 4 | 2 | 6 | 1.8 | CNC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115097 | 105220 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 4 | 2 | 6 | 1.8 | CNC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
44573568 | 187468 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494019 | 187468 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.bmcl.2008.12.050 | |||
72947593 | 105236 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CNC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115112 | 105236 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CNC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
44413144 | 139217 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL378784 | 139217 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.04.045 | |||
44442544 | 93764 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 10 | 4 | 4 | 3.6 | Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247407 | 93764 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 10 | 4 | 4 | 3.6 | Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
44353190 | 116564 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL336421 | 116564 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | |||
46240785 | 83580 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 7 | 3 | 6 | 3.1 | CCc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | |||
CHEMBL2204264 | 83580 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 7 | 3 | 6 | 3.1 | CCc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | |||
72947593 | 105236 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CNC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115112 | 105236 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CNC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
70692344 | 75196 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 370 | 3 | 2 | 3 | 3.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036749 | 75196 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 370 | 3 | 2 | 3 | 3.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
11844083 | 77991 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 581 | 8 | 1 | 3 | 6.9 | CC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCN1c1ccccc1 | 10.1021/jm060439n | |||
CHEMBL209696 | 77991 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 581 | 8 | 1 | 3 | 6.9 | CC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCN1c1ccccc1 | 10.1021/jm060439n | |||
44395238 | 123843 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 6 | 3 | 5 | 2.3 | Cc1csc(C(=O)NNC(=O)CN2CCC(NCc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL362536 | 123843 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 6 | 3 | 5 | 2.3 | Cc1csc(C(=O)NNC(=O)CN2CCC(NCc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | |||
42632830 | 93383 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL245694 | 93383 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
44416156 | 81150 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 657 | 8 | 1 | 4 | 6.1 | CS(=O)(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215768 | 81150 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 657 | 8 | 1 | 4 | 6.1 | CS(=O)(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | |||
24801345 | 97852 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
CHEMBL272167 | 97852 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | |||
44453171 | 95735 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 449 | 6 | 2 | 3 | 3.2 | O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL258364 | 95735 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 449 | 6 | 2 | 3 | 3.2 | O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
10300705 | 97896 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 5.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Cl | 10.1021/jm701488f | |||
CHEMBL272407 | 97896 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 5.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Cl | 10.1021/jm701488f | |||
53325639 | 58468 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683073 | 58468 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | |||
57402059 | 70340 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1944780 | 70340 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
44425319 | 86333 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 727 | 10 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL231340 | 86333 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 727 | 10 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
46241011 | 83573 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 483 | 6 | 3 | 7 | 1.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nncs3)CC2)C1 | 10.1021/ml300260s | |||
CHEMBL2204257 | 83573 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 483 | 6 | 3 | 7 | 1.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nncs3)CC2)C1 | 10.1021/ml300260s | |||
44444114 | 94207 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 6 | 1 | 2 | 5.4 | O=C(/C=C/c1cc(F)cc(F)c1)NC1CCC(CN2CCC(c3ccc(F)c(F)c3)CC2)C1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249811 | 94207 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 6 | 1 | 2 | 5.4 | O=C(/C=C/c1cc(F)cc(F)c1)NC1CCC(CN2CCC(c3ccc(F)c(F)c3)CC2)C1 | 10.1016/j.bmcl.2007.07.065 | |||
24801180 | 98038 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | |||
CHEMBL273079 | 98038 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | |||
122181145 | 121831 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 528 | 6 | 1 | 3 | 6.1 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | |||
CHEMBL3589840 | 121831 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 528 | 6 | 1 | 3 | 6.1 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | |||
44395232 | 66996 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 508 | 9 | 1 | 6 | 3.9 | COc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL186913 | 66996 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 508 | 9 | 1 | 6 | 3.9 | COc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | |||
71518727 | 86405 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 451 | 3 | 1 | 4 | 4.1 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCCC[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314064 | 86405 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 451 | 3 | 1 | 4 | 4.1 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCCC[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
57656808 | 75221 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 399 | 4 | 2 | 4 | 2.4 | CCN1CCNC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036776 | 75221 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 399 | 4 | 2 | 4 | 2.4 | CCN1CCNC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
54768838 | 86595 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 6 | 3 | 8 | 3.5 | Cc1nc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 | 10.1016/j.bmcl.2012.12.017 | |||
CHEMBL2315937 | 86595 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 6 | 3 | 8 | 3.5 | Cc1nc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 | 10.1016/j.bmcl.2012.12.017 | |||
57344295 | 130623 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | |||
CHEMBL3681872 | 130623 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | |||
57344303 | 130646 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL3681894 | 130646 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
44425635 | 153530 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL398000 | 153530 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
44413076 | 140146 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 9 | 1 | 3 | 5.0 | CN(C)CCCN(C)[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL380258 | 140146 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 9 | 1 | 3 | 5.0 | CN(C)CCCN(C)[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
44425652 | 168766 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL437359 | 168766 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
10312346 | 188460 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL502795 | 188460 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
50991056 | 62564 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782572 | 62564 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
10218843 | 172784 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 633 | 11 | 3 | 6 | 5.1 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
CHEMBL451340 | 172784 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 633 | 11 | 3 | 6 | 5.1 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | |||
44425651 | 143175 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 530 | 6 | 1 | 3 | 6.0 | COCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL389610 | 143175 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 530 | 6 | 1 | 3 | 6.0 | COCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
53319664 | 58675 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
CHEMBL1684700 | 58675 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | |||
53322810 | 58470 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1683075 | 58470 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
44593561 | 12661 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL1187238 | 12661 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494580 | 12661 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
71768689 | 111109 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263269 | 111109 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
22143346 | 172649 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL449672 | 172649 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | |||
54580188 | 62565 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782573 | 62565 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
11606702 | 145752 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL391662 | 145752 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | |||
44449175 | 95504 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 7 | 2 | 3 | 5.2 | CC(=O)NCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL257351 | 95504 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 7 | 2 | 3 | 5.2 | CC(=O)NCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
49763685 | 65421 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 517 | 7 | 2 | 5 | 3.7 | COC(=O)c1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829614 | 65421 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 517 | 7 | 2 | 5 | 3.7 | COC(=O)c1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | |||
44612590 | 137468 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753813 | 137468 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
44415899 | 80072 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL213058 | 80072 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
11844212 | 98647 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL277279 | 98647 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | |||
44415995 | 80050 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 621 | 7 | 1 | 3 | 6.7 | CC(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL212972 | 80050 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 621 | 7 | 1 | 3 | 6.7 | CC(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | |||
25007995 | 154869 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL400680 | 154869 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
11844212 | 98647 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
CHEMBL277279 | 98647 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
11662833 | 89186 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 471 | 6 | 2 | 3 | 4.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccccc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
CHEMBL236721 | 89186 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 471 | 6 | 2 | 3 | 4.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccccc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | |||
122181235 | 121848 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 572 | 7 | 1 | 3 | 6.7 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | |||
CHEMBL3589949 | 121848 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 572 | 7 | 1 | 3 | 6.7 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | |||
44416125 | 80919 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 569 | 7 | 2 | 4 | 5.5 | COC(=O)NC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215333 | 80919 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 569 | 7 | 2 | 4 | 5.5 | COC(=O)NC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
57344300 | 130643 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 509 | 6 | 4 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1 | nan | |||
CHEMBL3681891 | 130643 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 509 | 6 | 4 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1 | nan | |||
71517577 | 86368 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](N(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313762 | 86368 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](N(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
76314234 | 105221 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 5 | 2 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115098 | 105221 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 5 | 2 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
44425318 | 150309 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 732 | 10 | 2 | 6 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL395289 | 150309 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 732 | 10 | 2 | 6 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
90656021 | 111114 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 1.6 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2nccc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
CHEMBL3263274 | 111114 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 1.6 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2nccc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | |||
89823460 | 126337 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)cc(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650387 | 126337 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)cc(C(F)(F)F)c2)C1 | nan | |||
72946200 | 105230 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 2.2 | COCCOC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115106 | 105230 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 2.2 | COCCOC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
56668309 | 65774 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 558 | 6 | 3 | 8 | 3.6 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834718 | 65774 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 558 | 6 | 3 | 8 | 3.6 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | |||
127028591 | 137452 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.8 | Cc1ccc([C@]2(C)CCCC=C2C(=O)O)cc1C | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753683 | 137452 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.8 | Cc1ccc([C@]2(C)CCCC=C2C(=O)O)cc1C | 10.1016/j.bmcl.2015.11.051 | |||
89823691 | 126316 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 526 | 5 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2F)C1 | nan | |||
CHEMBL3650366 | 126316 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 526 | 5 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2F)C1 | nan | |||
11843812 | 79902 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL212423 | 79902 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
57344307 | 130649 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccncc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL3681897 | 130649 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccncc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
89823344 | 126348 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | |||
CHEMBL3650397 | 126348 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | |||
11843812 | 79902 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1021/jm060439n | |||
CHEMBL212423 | 79902 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1021/jm060439n | |||
89823453 | 126355 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 464 | 3 | 0 | 5 | 3.2 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCOCC1)C2 | nan | |||
CHEMBL3650403 | 126355 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 464 | 3 | 0 | 5 | 3.2 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCOCC1)C2 | nan | |||
508729 | 95533 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 416 | 7 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL257510 | 95533 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 416 | 7 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
46884855 | 8301 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1092656 | 8301 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
44413399 | 79527 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL211404 | 79527 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | |||
70687886 | 74528 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 487 | 6 | 1 | 3 | 4.7 | CN([C@H]1CC[C@@H](c2ccccc2)CC1)[C@H]1CCN(C(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1021/ml200199c | |||
CHEMBL2029408 | 74528 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 487 | 6 | 1 | 3 | 4.7 | CN([C@H]1CC[C@@H](c2ccccc2)CC1)[C@H]1CCN(C(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1021/ml200199c | |||
44573451 | 187565 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 4.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOC2)C1 | 10.1007/s00044-010-9501-4 | |||
CHEMBL494591 | 187565 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 4.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOC2)C1 | 10.1007/s00044-010-9501-4 | |||
25008849 | 94178 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL249609 | 94178 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
46945255 | 65434 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1016/j.bmcl.2011.06.080 | |||
CHEMBL1829627 | 65434 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1016/j.bmcl.2011.06.080 | |||
44573451 | 187565 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 4.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
CHEMBL494591 | 187565 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 4.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOC2)C1 | 10.1016/j.bmcl.2008.12.050 | |||
11690139 | 75223 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 412 | 3 | 1 | 3 | 3.4 | CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036778 | 75223 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 412 | 3 | 1 | 3 | 3.4 | CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
44415957 | 81052 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215391 | 81052 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | |||
70683619 | 74526 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.4 | O=C(NCC(=O)N1CC[C@@H](N[C@H]2CC[C@@H](c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029406 | 74526 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.4 | O=C(NCC(=O)N1CC[C@@H](N[C@H]2CC[C@@H](c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
22310850 | 116805 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2cc(-c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL337857 | 116805 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2cc(-c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
44413137 | 78890 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL211292 | 78890 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2006.04.045 | |||
72947191 | 105258 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 600 | 7 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115275 | 105258 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 600 | 7 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
67774197 | 130650 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 5.3 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | |||
CHEMBL3681898 | 130650 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 5.3 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | |||
72946013 | 105257 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 560 | 4 | 1 | 6 | 2.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115274 | 105257 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 560 | 4 | 1 | 6 | 2.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
10207542 | 73717 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 506 | 9 | 5 | 5 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C2(O)CCCC2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018383 | 73717 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 506 | 9 | 5 | 5 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C2(O)CCCC2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | |||
24801524 | 167326 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 7 | 3 | 5 | 2.7 | CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | |||
CHEMBL429425 | 167326 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 7 | 3 | 5 | 2.7 | CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | |||
22268768 | 154919 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 507 | 10 | 5 | 5 | 2.4 | CCNC(=O)C(C)(CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL400968 | 154919 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 507 | 10 | 5 | 5 | 2.4 | CCNC(=O)C(C)(CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2007.07.028 | |||
44395066 | 124461 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 398 | 8 | 1 | 3 | 4.5 | O=C(CCCC(=O)c1ccccc1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
CHEMBL363994 | 124461 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 398 | 8 | 1 | 3 | 4.5 | O=C(CCCC(=O)c1ccccc1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | |||
71518570 | 86402 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 453 | 3 | 1 | 4 | 4.4 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCSCC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2314059 | 86402 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 453 | 3 | 1 | 4 | 4.4 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCSCC1)C2 | 10.1016/j.bmcl.2012.10.069 | |||
72948004 | 105256 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 578 | 5 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115273 | 105256 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 578 | 5 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
71716742 | 86382 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 5 | 2 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313776 | 86382 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 5 | 2 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
44453471 | 97868 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 470 | 7 | 3 | 5 | 2.9 | Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL272283 | 97868 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 470 | 7 | 3 | 5 | 2.9 | Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
10228205 | 93726 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 490 | 10 | 4 | 4 | 2.6 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247205 | 93726 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 490 | 10 | 4 | 4 | 2.6 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
57344303 | 130646 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL3681894 | 130646 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
57402059 | 70340 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
CHEMBL1944780 | 70340 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | |||
25268795 | 148505 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 421 | 6 | 1 | 2 | 4.7 | C[N+](C)(Cc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL393835 | 148505 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 421 | 6 | 1 | 2 | 4.7 | C[N+](C)(Cc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | |||
86767120 | 129401 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | nan | |||
CHEMBL3671253 | 129401 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | nan | |||
44449081 | 95511 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 535 | 6 | 2 | 3 | 5.4 | O=C(/C=C/c1cccc(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL257385 | 95511 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 535 | 6 | 2 | 3 | 5.4 | O=C(/C=C/c1cccc(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
11634928 | 168889 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 514 | 5 | 3 | 3 | 6.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
CHEMBL438353 | 168889 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 514 | 5 | 3 | 3 | 6.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | |||
11606702 | 145752 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL391662 | 145752 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | |||
56671794 | 65795 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 516 | 7 | 2 | 7 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834790 | 65795 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 516 | 7 | 2 | 7 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | |||
44595711 | 137319 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3752627 | 137319 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
44416157 | 80593 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL215020 | 80593 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
44425630 | 86025 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230617 | 86025 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | |||
11330529 | 74538 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cccnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
CHEMBL2029418 | 74538 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cccnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | |||
24801689 | 97792 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | |||
CHEMBL271828 | 97792 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | |||
44425242 | 86041 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 588 | 8 | 2 | 5 | 6.6 | Nc1nc(C(CCN2CCC(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL230727 | 86041 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 588 | 8 | 2 | 5 | 6.6 | Nc1nc(C(CCN2CCC(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | |||
54583186 | 62570 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 496 | 6 | 1 | 5 | 4.3 | CCC1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782578 | 62570 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 496 | 6 | 1 | 5 | 4.3 | CCC1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | |||
10232019 | 73728 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 584 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018394 | 73728 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 584 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 | 10.1016/j.bmcl.2012.03.007 | |||
53322811 | 58472 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 3.1 | CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683077 | 58472 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 3.1 | CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | |||
54586021 | 62541 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | |||
CHEMBL1782375 | 62541 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | |||
10008367 | 2020 | 50 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | |||
777 | 2020 | 50 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL1289316 | 2020 | 50 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | |||
CHEMBL2426341 | 2020 | 50 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | |||
10281715 | 73721 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | |||
CHEMBL2018387 | 73721 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | |||
22143146 | 183904 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
CHEMBL481202 | 183904 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | |||
76314242 | 105251 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 544 | 5 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115268 | 105251 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 544 | 5 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
11633080 | 93630 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 417 | 5 | 1 | 1 | 6.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CC2CCC1C2 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL246728 | 93630 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 417 | 5 | 1 | 1 | 6.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CC2CCC1C2 | 10.1016/j.bmcl.2007.01.115 | |||
44442591 | 93811 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 631 | 11 | 5 | 5 | 4.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247635 | 93811 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 631 | 11 | 5 | 5 | 4.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
22310914 | 24326 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2ccc(F)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL134072 | 24326 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2ccc(F)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
10459336 | 73812 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 10 | 4 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2N)C1=O | 10.1016/j.bmcl.2012.03.007 | |||
CHEMBL2018540 | 73812 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 10 | 4 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2N)C1=O | 10.1016/j.bmcl.2012.03.007 | |||
44442574 | 155126 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 517 | 9 | 4 | 5 | 2.8 | Cc1cc(C#N)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL402055 | 155126 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 517 | 9 | 4 | 5 | 2.8 | Cc1cc(C#N)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | |||
11634118 | 58450 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 466 | 5 | 1 | 3 | 5.4 | CC(C)[C@]1(C(=O)N2CCC(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
CHEMBL1683053 | 58450 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 466 | 5 | 1 | 3 | 5.4 | CC(C)[C@]1(C(=O)N2CCC(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | |||
89823507 | 126320 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650370 | 126320 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 | nan | |||
56678506 | 65787 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 545 | 8 | 2 | 9 | 2.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(S(C)(=O)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
CHEMBL1834782 | 65787 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 545 | 8 | 2 | 9 | 2.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(S(C)(=O)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | |||
57401421 | 67863 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 486 | 6 | 1 | 3 | 5.1 | O=C(NCCCN1CCC(c2ccc(F)cc2)CC1)C1=Cc2cc(Br)ccc2OCC1 | 10.1016/j.bmcl.2011.09.013 | |||
CHEMBL1910161 | 67863 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 486 | 6 | 1 | 3 | 5.1 | O=C(NCCCN1CCC(c2ccc(F)cc2)CC1)C1=Cc2cc(Br)ccc2OCC1 | 10.1016/j.bmcl.2011.09.013 | |||
127025445 | 137460 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.7 | Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3753719 | 137460 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.7 | Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | |||
72663455 | 129399 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
CHEMBL3671251 | 129399 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | |||
44416274 | 158552 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL409162 | 158552 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | |||
44425639 | 86063 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 580 | 6 | 1 | 3 | 6.8 | COCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
CHEMBL230831 | 86063 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 580 | 6 | 1 | 3 | 6.8 | COCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | |||
11843813 | 141899 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
CHEMBL386865 | 141899 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | |||
44395079 | 66995 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 530 | 8 | 2 | 6 | 3.9 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cc(F)cc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
CHEMBL186899 | 66995 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 530 | 8 | 2 | 6 | 3.9 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cc(F)cc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | |||
44439157 | 91678 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 597 | 10 | 2 | 5 | 7.8 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c(n1)NCCC2 | 10.1016/j.bmcl.2006.10.060 | |||
CHEMBL240853 | 91678 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 597 | 10 | 2 | 5 | 7.8 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c(n1)NCCC2 | 10.1016/j.bmcl.2006.10.060 | |||
49863168 | 15204 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 583 | 9 | 2 | 5 | 7.4 | O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c(n1)NCCC2 | 10.1016/j.ejmech.2010.04.024 | |||
CHEMBL1210604 | 15204 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 583 | 9 | 2 | 5 | 7.4 | O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c(n1)NCCC2 | 10.1016/j.ejmech.2010.04.024 | |||
71519227 | 86375 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 503 | 4 | 1 | 5 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CC(F)(F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
CHEMBL2313769 | 86375 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 503 | 4 | 1 | 5 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CC(F)(F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | |||
11318368 | 74530 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200199c | |||
CHEMBL2029410 | 74530 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200199c | |||
89823428 | 126325 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 | nan | |||
CHEMBL3650375 | 126325 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 | nan | |||
72945827 | 105226 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 588 | 5 | 1 | 7 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115102 | 105226 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 588 | 5 | 1 | 7 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
57391487 | 130657 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 7 | 3 | 4 | 4.6 | NC(=O)C(N[C@H]1CC[C@H](C2CNc3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL3681904 | 130657 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 7 | 3 | 4 | 4.6 | NC(=O)C(N[C@H]1CC[C@H](C2CNc3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
44444100 | 94032 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 499 | 6 | 0 | 3 | 6.2 | CN(C)c1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
CHEMBL248812 | 94032 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 499 | 6 | 0 | 3 | 6.2 | CN(C)c1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | |||
44425316 | 142357 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 712 | 9 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
CHEMBL388869 | 142357 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 712 | 9 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | |||
25268442 | 93948 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 369 | 6 | 1 | 3 | 3.7 | COc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 | 10.1016/j.bmcl.2007.01.115 | |||
CHEMBL248358 | 93948 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 369 | 6 | 1 | 3 | 3.7 | COc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 | 10.1016/j.bmcl.2007.01.115 | |||
508870 | 97474 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 488 | 6 | 3 | 4 | 3.7 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL270205 | 97474 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 488 | 6 | 3 | 4 | 3.7 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | |||
22310992 | 23106 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 363 | 4 | 2 | 3 | 4.4 | O=C(O)c1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL133075 | 23106 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 363 | 4 | 2 | 3 | 4.4 | O=C(O)c1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | |||
57344301 | 130644 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 7 | 3 | 4 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCCO3)CC1 | nan | |||
CHEMBL3681892 | 130644 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 7 | 3 | 4 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCCO3)CC1 | nan | |||
508742 | 95574 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL257702 | 95574 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
44453538 | 97928 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
CHEMBL272543 | 97928 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | |||
72946008 | 105235 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 625 | 7 | 1 | 9 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115111 | 105235 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 625 | 7 | 1 | 9 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
10278862 | 93727 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 504 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247206 | 93727 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 504 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
22143200 | 187763 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 480 | 8 | 4 | 5 | 2.8 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
CHEMBL495718 | 187763 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 480 | 8 | 4 | 5 | 2.8 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | |||
9956260 | 157681 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | |||
CHEMBL408172 | 157681 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | |||
127025444 | 137266 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccccc2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
CHEMBL3752110 | 137266 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccccc2)C1 | 10.1016/j.bmcl.2015.11.051 | |||
57656938 | 75213 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036766 | 75213 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
44415922 | 141681 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
CHEMBL385540 | 141681 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | |||
57344318 | 68931 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 7 | 2 | 3 | 5.6 | CN(C)C(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL1922791 | 68931 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 7 | 2 | 3 | 5.6 | CN(C)C(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
57344317 | 68930 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.3 | CNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
CHEMBL1922790 | 68930 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.3 | CNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | |||
72946010 | 105228 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 582 | 5 | 1 | 7 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
CHEMBL3115104 | 105228 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 582 | 5 | 1 | 7 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | |||
11510932 | 75200 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 460 | 5 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036753 | 75200 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 460 | 5 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | |||
46886061 | 7981 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 593 | 8 | 1 | 6 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](N2C(=O)C[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
CHEMBL1090562 | 7981 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 593 | 8 | 1 | 6 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](N2C(=O)C[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | |||
44442558 | 93728 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 10 | 4 | 4 | 3.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
CHEMBL247207 | 93728 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 10 | 4 | 4 | 3.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | |||
22310965 | 19590 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2c(F)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
CHEMBL130008 | 19590 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2c(F)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | |||
46885027 | 8419 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
CHEMBL1093469 | 8419 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | |||
10343454 | 3981 | 29 | None | 34 | 2 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 4.3 | Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.6b01309 | |||
9046 | 3981 | 29 | None | 34 | 2 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 4.3 | Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.6b01309 | |||
CHEMBL2178578 | 3981 | 29 | None | 34 | 2 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 4.3 | Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.6b01309 | |||
DB15250 | 3981 | 29 | None | 34 | 2 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 4.3 | Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.6b01309 | |||
11180808 | 2547 | 52 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | |||
9048 | 2547 | 52 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3305901 | 2547 | 52 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | |||
155491018 | 174081 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4544504 | 174081 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | |||
53389902 | 172497 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4483373 | 172497 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155491018 | 174081 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4544504 | 174081 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | |||
53389902 | 172497 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4483373 | 172497 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
11180808 | 2547 | 52 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | |||
9048 | 2547 | 52 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3305901 | 2547 | 52 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | |||
71717723 | 87827 | 0 | None | 51 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.3 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(CF)nc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1021/ml400055e | |||
CHEMBL2338392 | 87827 | 0 | None | 51 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.3 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(CF)nc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1021/ml400055e | |||
155554273 | 174211 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4548396 | 174211 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
155554273 | 174211 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4548396 | 174211 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
162666730 | 182272 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4783861 | 182272 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
162666730 | 182272 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4783861 | 182272 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
155554106 | 175467 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4577171 | 175467 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155562719 | 175227 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 407 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4571719 | 175227 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 407 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155562719 | 175227 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 407 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4571719 | 175227 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 407 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155554106 | 175467 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4577171 | 175467 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
71718331 | 87826 | 0 | None | 208 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 663 | 8 | 2 | 8 | 5.7 | Cc1c(NC[C@H]2CCC[C@@H](c3ccc(C(F)(F)F)cc3)O2)nc(C2CCOCC2)nc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1 | 10.1021/ml400055e | |||
CHEMBL2338391 | 87826 | 0 | None | 208 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 663 | 8 | 2 | 8 | 5.7 | Cc1c(NC[C@H]2CCC[C@@H](c3ccc(C(F)(F)F)cc3)O2)nc(C2CCOCC2)nc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1 | 10.1021/ml400055e | |||
71719547 | 87828 | 0 | None | 50 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 660 | 8 | 2 | 9 | 5.8 | Cc1cc(-c2nc(NC[C@H]3CCC[C@@H](c4ccc(C(F)(F)F)cc4)O3)c(C)c(C(=O)N3CCC(N[C@@H]4CCOC[C@@H]4F)CC3)n2)no1 | 10.1021/ml400055e | |||
CHEMBL2338393 | 87828 | 0 | None | 50 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 660 | 8 | 2 | 9 | 5.8 | Cc1cc(-c2nc(NC[C@H]3CCC[C@@H](c4ccc(C(F)(F)F)cc4)O3)c(C)c(C(=O)N3CCC(N[C@@H]4CCOC[C@@H]4F)CC3)n2)no1 | 10.1021/ml400055e | |||
118734584 | 118694 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 530 | 6 | 1 | 4 | 6.1 | COc1cc2c(cc1OC)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417124 | 118694 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 530 | 6 | 1 | 4 | 6.1 | COc1cc2c(cc1OC)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 | 10.1016/j.ejmech.2015.01.063 | |||
53389845 | 172959 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4517518 | 172959 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
53389845 | 172959 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4517518 | 172959 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155563012 | 175279 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4572833 | 175279 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155563012 | 175279 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4572833 | 175279 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
10585 | 1078 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | |||
145996522 | 1078 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4531005 | 1078 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | |||
155513284 | 169724 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4438407 | 169724 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
118734578 | 118687 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 504 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Cl)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417117 | 118687 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 504 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Cl)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
10585 | 1078 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | |||
145996522 | 1078 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4531005 | 1078 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | |||
155513284 | 169724 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4438407 | 169724 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
53389660 | 171481 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4463626 | 171481 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | |||
53389660 | 171481 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4463626 | 171481 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | |||
155553917 | 174201 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4548107 | 174201 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155553917 | 174201 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4548107 | 174201 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
53389637 | 170565 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4450273 | 170565 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
53389637 | 170565 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4450273 | 170565 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
162666730 | 182272 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4783861 | 182272 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
15985912 | 83973 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207081 | 83973 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
71461438 | 83974 | 0 | None | 100 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cnnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207082 | 83974 | 0 | None | 100 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cnnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
71214709 | 83976 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207084 | 83976 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
71450658 | 83990 | 0 | None | 15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.7 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207098 | 83990 | 0 | None | 15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.7 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
15985912 | 83973 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207081 | 83973 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
118734680 | 118702 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 547 | 5 | 1 | 3 | 7.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4cccnc4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417225 | 118702 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 547 | 5 | 1 | 3 | 7.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4cccnc4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
118734682 | 118704 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 591 | 7 | 1 | 4 | 7.5 | CCOc1cncc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417227 | 118704 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 591 | 7 | 1 | 4 | 7.5 | CCOc1cncc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | |||
12093167 | 172323 | 33 | None | 1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4475389 | 172323 | 33 | None | 1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
89823581 | 126359 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650407 | 126359 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | |||
71461439 | 83979 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207087 | 83979 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.020 | |||
71452487 | 83980 | 0 | None | 12 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207088 | 83980 | 0 | None | 12 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
71454247 | 83982 | 0 | None | 15 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 366 | 5 | 1 | 5 | 2.9 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207090 | 83982 | 0 | None | 15 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 366 | 5 | 1 | 5 | 2.9 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1 | 10.1016/j.bmcl.2012.09.020 | |||
155539148 | 172802 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4513770 | 172802 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
155539148 | 172802 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4513770 | 172802 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
89823497 | 126300 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | |||
CHEMBL3650350 | 126300 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | |||
155536512 | 172203 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4473756 | 172203 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | |||
3013430 | 21129 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
CHEMBL131243 | 21129 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
155536512 | 172203 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4473756 | 172203 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | |||
89823576 | 126327 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 542 | 5 | 1 | 6 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 | nan | |||
CHEMBL3650377 | 126327 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 542 | 5 | 1 | 6 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 | nan | |||
89823413 | 126331 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)ccc2C(F)(F)F)C1 | nan | |||
CHEMBL3650381 | 126331 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)ccc2C(F)(F)F)C1 | nan | |||
118734676 | 118699 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 571 | 5 | 1 | 3 | 7.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4ccc(C#N)cc4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417221 | 118699 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 571 | 5 | 1 | 3 | 7.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4ccc(C#N)cc4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
12093167 | 172323 | 33 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4475389 | 172323 | 33 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
89823461 | 126315 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 491 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(Cl)c2)C1 | nan | |||
CHEMBL3650365 | 126315 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 491 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(Cl)c2)C1 | nan | |||
118734684 | 118706 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 6 | 1 | 4 | 7.3 | COc1cc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c(F)cn1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417229 | 118706 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 6 | 1 | 4 | 7.3 | COc1cc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c(F)cn1 | 10.1016/j.ejmech.2015.01.063 | |||
71745103 | 126360 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650408 | 126360 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
71454248 | 83993 | 0 | None | 25 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207100 | 83993 | 0 | None | 25 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | |||
71214976 | 83994 | 0 | None | 79 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.5 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207101 | 83994 | 0 | None | 79 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.5 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | |||
155545321 | 173452 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4529401 | 173452 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | |||
89823621 | 126317 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 | nan | |||
CHEMBL3650367 | 126317 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 | nan | |||
71463165 | 83978 | 0 | None | 6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207086 | 83978 | 0 | None | 6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1 | 10.1016/j.bmcl.2012.09.020 | |||
9870980 | 154645 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | |||
CHEMBL399472 | 154645 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | |||
25110660 | 154870 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | |||
CHEMBL400698 | 154870 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
118734580 | 118690 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 4 | 1 | 2 | 7.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(C(F)(F)F)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417120 | 118690 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 4 | 1 | 2 | 7.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(C(F)(F)F)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
118734582 | 118692 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 4 | 1 | 3 | 5.9 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccc(C#N)cc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417122 | 118692 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 4 | 1 | 3 | 5.9 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccc(C#N)cc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
118734688 | 118710 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 592 | 5 | 1 | 3 | 7.4 | COc1cc2c(cc1Br)C(C)CC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417233 | 118710 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 592 | 5 | 1 | 3 | 7.4 | COc1cc2c(cc1Br)C(C)CC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | |||
155545321 | 173452 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4529401 | 173452 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | |||
89823598 | 126363 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650410 | 126363 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
118734694 | 118717 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2C[C@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417240 | 118717 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2C[C@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
9902578 | 171353 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4461627 | 171353 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
118723411 | 116322 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 4.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc(O)cc3)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | |||
CHEMBL3359300 | 116322 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 4.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc(O)cc3)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | |||
155523645 | 170876 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3Cl)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4454297 | 170876 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3Cl)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155523645 | 170876 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3Cl)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4454297 | 170876 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3Cl)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
9902578 | 171353 | 0 | None | -4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4461627 | 171353 | 0 | None | -4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
54597147 | 161370 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 594 | 5 | 0 | 7 | 3.3 | Cc1c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1 | 10.1016/j.bmc.2018.05.027 | |||
CHEMBL4126162 | 161370 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 594 | 5 | 0 | 7 | 3.3 | Cc1c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1 | 10.1016/j.bmc.2018.05.027 | |||
118734571 | 118680 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 5 | 1 | 4 | 5.2 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417110 | 118680 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 5 | 1 | 4 | 5.2 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
118734575 | 118684 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 4 | 1 | 3 | 5.9 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(C#N)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417114 | 118684 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 4 | 1 | 3 | 5.9 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(C#N)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
155521447 | 170582 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4450561 | 170582 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | |||
89823526 | 126345 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 4 | 0 | 4 | 5.7 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | |||
CHEMBL3650394 | 126345 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 4 | 0 | 4 | 5.7 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | |||
155521447 | 170582 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4450561 | 170582 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | |||
155518928 | 170343 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4447263 | 170343 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | |||
155518928 | 170343 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4447263 | 170343 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | |||
12093170 | 871 | 31 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | |||
9431 | 871 | 31 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | |||
CHEMBL4519152 | 871 | 31 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | |||
CHEMBL5268600 | 193570 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C2CCC(O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/acs.jmedchem.6b01309 | |||
71214710 | 83977 | 0 | None | 39 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.6 | Cn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207085 | 83977 | 0 | None | 39 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.6 | Cn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
10293022 | 171096 | 12 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4457687 | 171096 | 12 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
3013430 | 21129 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
CHEMBL131243 | 21129 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
155530253 | 171519 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 3 | 2 | 5 | 3.2 | Cc1ccc(-c2[nH]c3nc(N)nn3c(=O)c2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4464168 | 171519 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 3 | 2 | 5 | 3.2 | Cc1ccc(-c2[nH]c3nc(N)nn3c(=O)c2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b00742 | |||
155545804 | 173495 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4530510 | 173495 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
10132885 | 175136 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4569870 | 175136 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
155545804 | 173495 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4530510 | 173495 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
10132885 | 175136 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4569870 | 175136 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
155535265 | 172017 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4471583 | 172017 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
155530253 | 171519 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 3 | 2 | 5 | 3.2 | Cc1ccc(-c2[nH]c3nc(N)nn3c(=O)c2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4464168 | 171519 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 3 | 2 | 5 | 3.2 | Cc1ccc(-c2[nH]c3nc(N)nn3c(=O)c2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b00742 | |||
71456007 | 83984 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 373 | 5 | 1 | 6 | 2.7 | N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207092 | 83984 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 373 | 5 | 1 | 6 | 2.7 | N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1 | 10.1016/j.bmcl.2012.09.020 | |||
89823445 | 126349 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | |||
CHEMBL3650398 | 126349 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
53389980 | 172225 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 2 | 5 | 1.6 | Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4474089 | 172225 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 2 | 5 | 1.6 | Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
155535265 | 172017 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4471583 | 172017 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
5353432 | 97493 | 89 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 | nan | |||
CHEMBL270299 | 97493 | 89 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 | nan | |||
9924108 | 171771 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4467708 | 171771 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
10293022 | 171096 | 12 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4457687 | 171096 | 12 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
89823661 | 126342 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 541 | 5 | 1 | 5 | 4.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650391 | 126342 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 541 | 5 | 1 | 5 | 4.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | |||
53389980 | 172225 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 2 | 5 | 1.6 | Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4474089 | 172225 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 2 | 5 | 1.6 | Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
22335694 | 171556 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4464639 | 171556 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
9924108 | 171771 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4467708 | 171771 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
781 | 3394 | 80 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
9953769 | 3394 | 80 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
155522874 | 170837 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 8 | 2 | 5 | 3.8 | CCCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4453718 | 170837 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 8 | 2 | 5 | 3.8 | CCCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
155522874 | 170837 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 8 | 2 | 5 | 3.8 | CCCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4453718 | 170837 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 8 | 2 | 5 | 3.8 | CCCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
22335694 | 171556 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4464639 | 171556 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
9902204 | 170124 | 12 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4443909 | 170124 | 12 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
785 | 3773 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
9902204 | 170124 | 12 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4443909 | 170124 | 12 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
162671727 | 182969 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 10 | 3 | 5 | 5.6 | C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4793148 | 182969 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 10 | 3 | 5 | 5.6 | C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
118734693 | 118716 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2C[C@@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417239 | 118716 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2C[C@@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
89823498 | 126311 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 | nan | |||
CHEMBL3650361 | 126311 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 | nan | |||
781 | 3394 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | |||
9953769 | 3394 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | |||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | |||
3794409 | 170754 | 7 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4452558 | 170754 | 7 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
76167595 | 161462 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 493 | 6 | 2 | 7 | 3.8 | COC1COCCC1NC1CCN(C(=O)c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1016/j.bmc.2018.05.027 | |||
CHEMBL4127538 | 161462 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 493 | 6 | 2 | 7 | 3.8 | COC1COCCC1NC1CCN(C(=O)c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1016/j.bmc.2018.05.027 | |||
118734686 | 118708 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccc(Br)cc21 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417231 | 118708 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccc(Br)cc21 | 10.1016/j.ejmech.2015.01.063 | |||
118734691 | 118714 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417237 | 118714 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | |||
71718930 | 87825 | 0 | None | 75 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 601 | 5 | 1 | 7 | 4.4 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(N3CCc4cc(C(F)(F)F)ccc4C3)c2C)CC1 | 10.1021/ml400055e | |||
CHEMBL2338390 | 87825 | 0 | None | 75 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 601 | 5 | 1 | 7 | 4.4 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(N3CCc4cc(C(F)(F)F)ccc4C3)c2C)CC1 | 10.1021/ml400055e | |||
155551912 | 175134 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 3 | 2 | 5 | 3.2 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4569807 | 175134 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 3 | 2 | 5 | 3.2 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 | 10.1021/acs.jmedchem.9b00742 | |||
155551912 | 175134 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 3 | 2 | 5 | 3.2 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4569807 | 175134 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 3 | 2 | 5 | 3.2 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 | 10.1021/acs.jmedchem.9b00742 | |||
155540798 | 172933 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4516788 | 172933 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
118734572 | 118681 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 470 | 4 | 1 | 2 | 6.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417111 | 118681 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 470 | 4 | 1 | 2 | 6.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
155540798 | 172933 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4516788 | 172933 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
53389710 | 172279 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4474757 | 172279 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
71576618 | 118688 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417118 | 118688 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
53389710 | 172279 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4474757 | 172279 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
73334813 | 118712 | 17 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417235 | 118712 | 17 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
162666730 | 182272 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4783861 | 182272 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
155560784 | 175049 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4567816 | 175049 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | |||
155560784 | 175049 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4567816 | 175049 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
155541801 | 173054 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4519409 | 173054 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155527193 | 171167 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4458846 | 171167 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | |||
155527193 | 171167 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4458846 | 171167 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | |||
3013430 | 21129 | 1 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
CHEMBL131243 | 21129 | 1 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
3794409 | 170754 | 7 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4452558 | 170754 | 7 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
89823496 | 126313 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 3.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650363 | 126313 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 3.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 | nan | |||
781 | 3394 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
9953769 | 3394 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
118734576 | 118685 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 486 | 4 | 2 | 3 | 5.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(O)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417115 | 118685 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 486 | 4 | 2 | 3 | 5.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(O)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
89823628 | 126347 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 555 | 5 | 0 | 5 | 4.8 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650396 | 126347 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 555 | 5 | 0 | 5 | 4.8 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
155550777 | 174285 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 359 | 7 | 2 | 5 | 3.4 | CCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4549837 | 174285 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 359 | 7 | 2 | 5 | 3.4 | CCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
3796276 | 170848 | 7 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4453953 | 170848 | 7 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
155526680 | 171127 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4458295 | 171127 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | |||
12093162 | 173324 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4526524 | 173324 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
3796276 | 170848 | 7 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4453953 | 170848 | 7 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
155526680 | 171127 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4458295 | 171127 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | |||
12093162 | 173324 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4526524 | 173324 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
781 | 3394 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
9953769 | 3394 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
162671727 | 182969 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 10 | 3 | 5 | 5.6 | C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4793148 | 182969 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 10 | 3 | 5 | 5.6 | C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
155550777 | 174285 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 359 | 7 | 2 | 5 | 3.4 | CCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4549837 | 174285 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 359 | 7 | 2 | 5 | 3.4 | CCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
155513605 | 169778 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)ccc1Cl | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4439033 | 169778 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)ccc1Cl | 10.1021/acs.jmedchem.9b00742 | |||
155513605 | 169778 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)ccc1Cl | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4439033 | 169778 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)ccc1Cl | 10.1021/acs.jmedchem.9b00742 | |||
155553131 | 174109 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4545333 | 174109 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
3013430 | 21129 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
CHEMBL131243 | 21129 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
118734581 | 118691 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.4 | Cc1ccc2c(c1)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417121 | 118691 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.4 | Cc1ccc2c(c1)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 | 10.1016/j.ejmech.2015.01.063 | |||
118734683 | 118705 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 577 | 6 | 1 | 4 | 7.1 | COc1cc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)ccn1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417228 | 118705 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 577 | 6 | 1 | 4 | 7.1 | COc1cc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)ccn1 | 10.1016/j.ejmech.2015.01.063 | |||
3013430 | 21129 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
CHEMBL131243 | 21129 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
9967465 | 172085 | 11 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4472384 | 172085 | 11 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
9967465 | 172085 | 11 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4472384 | 172085 | 11 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
68070944 | 161458 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 8 | 1 | 7 | 4.1 | CCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(NCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1 | 10.1016/j.bmc.2018.05.027 | |||
CHEMBL4127496 | 161458 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 8 | 1 | 7 | 4.1 | CCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(NCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1 | 10.1016/j.bmc.2018.05.027 | |||
118734690 | 118713 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417236 | 118713 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
71450657 | 83986 | 0 | None | 15 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207094 | 83986 | 0 | None | 15 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | |||
15604497 | 83991 | 0 | None | 39 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.0 | Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207099 | 83991 | 0 | None | 39 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.0 | Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
44309012 | 102821 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | |||
CHEMBL305470 | 102821 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | |||
71463166 | 83988 | 0 | None | 7 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 390 | 5 | 1 | 8 | 2.3 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc12 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207096 | 83988 | 0 | None | 7 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 390 | 5 | 1 | 8 | 2.3 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc12 | 10.1016/j.bmcl.2012.09.020 | |||
44309012 | 102821 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | |||
CHEMBL305470 | 102821 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | |||
781 | 3394 | 80 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
9953769 | 3394 | 80 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
785 | 3773 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
3013430 | 21129 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
CHEMBL131243 | 21129 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
11080 | 29083 | 79 | None | -1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | |||
CHEMBL1381098 | 29083 | 79 | None | -1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | |||
155553131 | 174109 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4545333 | 174109 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
89823470 | 126307 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 | nan | |||
CHEMBL3650357 | 126307 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 | nan | |||
12093163 | 174400 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4552420 | 174400 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
12093163 | 174400 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4552420 | 174400 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
118723406 | 116320 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 501 | 6 | 2 | 3 | 5.1 | Cc1cccc(C2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2014.10.060 | |||
CHEMBL3359295 | 116320 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 501 | 6 | 2 | 3 | 5.1 | Cc1cccc(C2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2014.10.060 | |||
89823507 | 126320 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650370 | 126320 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 | nan | |||
89823552 | 126301 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | |||
CHEMBL3650351 | 126301 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
3013430 | 21129 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
CHEMBL131243 | 21129 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
785 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
155540563 | 172535 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4483756 | 172535 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
9949615 | 138202 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 335 | 3 | 2 | 3 | 4.4 | O=C(O)c1cc2cc(O)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL376981 | 138202 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 335 | 3 | 2 | 3 | 4.4 | O=C(O)c1cc2cc(O)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2006.04.045 | |||
89823551 | 126310 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650360 | 126310 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 | nan | |||
118734685 | 118707 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.6 | CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccccc21 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417230 | 118707 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.6 | CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccccc21 | 10.1016/j.ejmech.2015.01.063 | |||
155541801 | 173054 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4519409 | 173054 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155535293 | 172043 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4471792 | 172043 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | |||
53389636 | 172398 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 317 | 4 | 2 | 5 | 2.2 | CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4476551 | 172398 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 317 | 4 | 2 | 5 | 2.2 | CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
155543260 | 173287 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 314 | 3 | 1 | 4 | 2.8 | Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4525646 | 173287 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 314 | 3 | 1 | 4 | 2.8 | Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155535293 | 172043 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4471792 | 172043 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | |||
155543260 | 173287 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 314 | 3 | 1 | 4 | 2.8 | Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4525646 | 173287 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 314 | 3 | 1 | 4 | 2.8 | Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
53389636 | 172398 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 317 | 4 | 2 | 5 | 2.2 | CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4476551 | 172398 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 317 | 4 | 2 | 5 | 2.2 | CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
162666730 | 182272 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4783861 | 182272 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
162658125 | 181094 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4760108 | 181094 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
53389641 | 175951 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 3 | 2 | 5 | 1.8 | CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4588111 | 175951 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 3 | 2 | 5 | 1.8 | CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
86698129 | 126302 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 522 | 5 | 0 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650352 | 126302 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 522 | 5 | 0 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
3013430 | 21129 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
CHEMBL131243 | 21129 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
155540563 | 172535 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4483756 | 172535 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
89823349 | 126314 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650364 | 126314 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 | nan | |||
118734573 | 118682 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.4 | Cc1cccc2c1CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417112 | 118682 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.4 | Cc1cccc2c1CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | |||
162671079 | 182850 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.4 | O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4791522 | 182850 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.4 | O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
89823575 | 126309 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 | nan | |||
CHEMBL3650359 | 126309 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 | nan | |||
15985914 | 83972 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207080 | 83972 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
71461440 | 83989 | 0 | None | 31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 5 | 1 | 5 | 3.6 | O=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207097 | 83989 | 0 | None | 31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 5 | 1 | 5 | 3.6 | O=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
162671079 | 182850 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.4 | O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4791522 | 182850 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.4 | O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
155513751 | 169799 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4439354 | 169799 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
785 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
785 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | |||
785 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | |||
155513751 | 169799 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4439354 | 169799 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
89823537 | 126296 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650346 | 126296 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
89823606 | 126323 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | |||
CHEMBL3650373 | 126323 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | |||
89823656 | 126353 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650401 | 126353 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
785 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
9967349 | 173063 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4519533 | 173063 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
9967349 | 173063 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4519533 | 173063 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
89823580 | 126335 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 | nan | |||
CHEMBL3650385 | 126335 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 | nan | |||
118734678 | 118700 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 576 | 6 | 1 | 3 | 7.7 | COc1cccc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417223 | 118700 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 576 | 6 | 1 | 3 | 7.7 | COc1cccc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | |||
71214725 | 83975 | 0 | None | 15 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cncn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207083 | 83975 | 0 | None | 15 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cncn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | |||
10257042 | 204359 | 0 | None | 12 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | |||
CHEMBL71707 | 204359 | 0 | None | 12 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | |||
162666730 | 182272 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4783861 | 182272 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
53389641 | 175951 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 3 | 2 | 5 | 1.8 | CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4588111 | 175951 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 3 | 2 | 5 | 1.8 | CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
155520385 | 170448 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4448714 | 170448 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155520385 | 170448 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4448714 | 170448 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
118734579 | 118689 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 596 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(I)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417119 | 118689 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 596 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(I)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
162658125 | 181094 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4760108 | 181094 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
118734687 | 118709 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 5 | 1 | 3 | 6.8 | COc1cc2c(cc1Br)CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417232 | 118709 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 5 | 1 | 3 | 6.8 | COc1cc2c(cc1Br)CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | |||
118734574 | 118683 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 485 | 4 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(N)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417113 | 118683 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 485 | 4 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(N)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
118734692 | 118715 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417238 | 118715 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
118734577 | 118686 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 4 | 1 | 2 | 6.2 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(F)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417116 | 118686 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 4 | 1 | 2 | 6.2 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(F)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
10257042 | 204359 | 0 | None | 12 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | |||
CHEMBL71707 | 204359 | 0 | None | 12 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | |||
11632418 | 75195 | 1 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
CHEMBL2036748 | 75195 | 1 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | |||
118734681 | 118703 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 577 | 6 | 1 | 4 | 7.1 | COc1cncc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417226 | 118703 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 577 | 6 | 1 | 4 | 7.1 | COc1cncc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | |||
176 | 398 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2157 | 398 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2566 | 398 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
CHEMBL633 | 398 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
DB01118 | 398 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
89823586 | 126322 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 | nan | |||
CHEMBL3650372 | 126322 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 | nan | |||
781 | 3394 | 80 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
9953769 | 3394 | 80 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
89823444 | 126324 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 | nan | |||
CHEMBL3650374 | 126324 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 | nan | |||
3013430 | 21129 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
CHEMBL131243 | 21129 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
118734671 | 118697 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 530 | 6 | 1 | 4 | 6.1 | COc1ccc(OC)c2c1CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417216 | 118697 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 530 | 6 | 1 | 4 | 6.1 | COc1ccc(OC)c2c1CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | |||
89823344 | 126348 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | |||
CHEMBL3650397 | 126348 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | |||
155534565 | 171969 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 3 | 2 | 5 | 1.5 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4470785 | 171969 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 3 | 2 | 5 | 1.5 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155529754 | 171459 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.5 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4463383 | 171459 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.5 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
10111333 | 175465 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4577133 | 175465 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
155529754 | 171459 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.5 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4463383 | 171459 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.5 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155534565 | 171969 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 281 | 3 | 2 | 5 | 1.5 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4470785 | 171969 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 281 | 3 | 2 | 5 | 1.5 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
44573568 | 187468 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL494019 | 187468 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2006.04.045 | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2006.04.045 | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2006.04.045 | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | |||
71457815 | 83983 | 0 | None | 19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207091 | 83983 | 0 | None | 19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | |||
71452488 | 83985 | 0 | None | 19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 388 | 5 | 1 | 6 | 3.5 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207093 | 83985 | 0 | None | 19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 388 | 5 | 1 | 6 | 3.5 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | |||
15985981 | 83971 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 5.0 | Cc1cc(C)n(Cc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)n1 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207079 | 83971 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 5.0 | Cc1cc(C)n(Cc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)n1 | 10.1016/j.bmcl.2012.09.020 | |||
71454246 | 83981 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 5 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207089 | 83981 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 5 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C | 10.1016/j.bmcl.2012.09.020 | |||
155522058 | 170642 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.0 | Nc1nc2[nH]c(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4451290 | 170642 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.0 | Nc1nc2[nH]c(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
155522058 | 170642 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.0 | Nc1nc2[nH]c(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4451290 | 170642 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.0 | Nc1nc2[nH]c(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | |||
781 | 3394 | 80 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
9953769 | 3394 | 80 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
118734675 | 118698 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 571 | 5 | 1 | 3 | 7.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4cccc(C#N)c4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417220 | 118698 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 571 | 5 | 1 | 3 | 7.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4cccc(C#N)c4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
89823462 | 126356 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 4 | 1 | 6 | 2.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1 | nan | |||
CHEMBL3650404 | 126356 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 4 | 1 | 6 | 2.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1 | nan | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
22335665 | 173465 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4529804 | 173465 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
22335665 | 173465 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4529804 | 173465 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
781 | 3394 | 80 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
9953769 | 3394 | 80 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
3013430 | 21129 | 1 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
CHEMBL131243 | 21129 | 1 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
89823427 | 126308 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 | nan | |||
CHEMBL3650358 | 126308 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 | nan | |||
162658125 | 181094 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4760108 | 181094 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
10111333 | 175465 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4577133 | 175465 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
89823620 | 126361 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650409 | 126361 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
162658125 | 181094 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4760108 | 181094 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
162658125 | 181094 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4760108 | 181094 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
162658125 | 181094 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4760108 | 181094 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
155531561 | 171648 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 6 | 2 | 5 | 3.2 | CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4466027 | 171648 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 6 | 2 | 5 | 3.2 | CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
155531561 | 171648 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 6 | 2 | 5 | 3.2 | CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4466027 | 171648 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 6 | 2 | 5 | 3.2 | CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
89823439 | 126297 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650347 | 126297 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.6b01309 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.6b01309 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.6b01309 | |||
71456008 | 83987 | 0 | None | 25 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 5 | 1 | 6 | 4.0 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12 | 10.1016/j.bmcl.2012.09.020 | |||
CHEMBL2207095 | 83987 | 0 | None | 25 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 5 | 1 | 6 | 4.0 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12 | 10.1016/j.bmcl.2012.09.020 | |||
162672927 | 183181 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 733 | 11 | 3 | 7 | 6.4 | O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4795646 | 183181 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 733 | 11 | 3 | 7 | 6.4 | O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
44309012 | 102821 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | |||
CHEMBL305470 | 102821 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | |||
44309012 | 102821 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | |||
CHEMBL305470 | 102821 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | |||
781 | 3394 | 80 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
9953769 | 3394 | 80 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
9967166 | 169971 | 11 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4441958 | 169971 | 11 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
118723408 | 116321 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 4.8 | COc1cccc(C2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2014.10.060 | |||
CHEMBL3359297 | 116321 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 4.8 | COc1cccc(C2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2014.10.060 | |||
9967166 | 169971 | 11 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4441958 | 169971 | 11 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | |||
155559153 | 174779 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4561618 | 174779 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | |||
89823506 | 126334 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650384 | 126334 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | |||
155559153 | 174779 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4561618 | 174779 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
785 | 3773 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
89823342 | 126357 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
CHEMBL3650405 | 126357 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | |||
3013430 | 21129 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
CHEMBL131243 | 21129 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
155553573 | 174175 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 6 | 2 | 5 | 3.0 | CCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4547381 | 174175 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 6 | 2 | 5 | 3.0 | CCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
155553573 | 174175 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 6 | 2 | 5 | 3.0 | CCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
CHEMBL4547381 | 174175 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 6 | 2 | 5 | 3.0 | CCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | |||
118734583 | 118693 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 504 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccc(Cl)cc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417123 | 118693 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 504 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccc(Cl)cc32)C1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL11359 | 9778 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | None | nan | |||||
44353447 | 3773 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
785 | 3773 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | |||
118723021 | 116265 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 6 | 2 | 3 | 4.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | |||
CHEMBL3358698 | 116265 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 6 | 2 | 3 | 4.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | |||
118734679 | 118701 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 576 | 6 | 1 | 3 | 7.7 | COc1ccc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)cc1 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417224 | 118701 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 576 | 6 | 1 | 3 | 7.7 | COc1ccc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)cc1 | 10.1016/j.ejmech.2015.01.063 | |||
3013430 | 21129 | 1 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
CHEMBL131243 | 21129 | 1 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | |||
89823417 | 126343 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C#N)c2)C1 | nan | |||
CHEMBL3650392 | 126343 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C#N)c2)C1 | nan | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
785 | 3773 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | |||
89823348 | 126346 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | |||
CHEMBL3650395 | 126346 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | |||
25110660 | 154870 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | |||
CHEMBL400698 | 154870 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | |||
9857981 | 170785 | 11 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4453024 | 170785 | 11 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
25110660 | 154870 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | |||
CHEMBL400698 | 154870 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | |||
89823541 | 126321 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 | nan | |||
CHEMBL3650371 | 126321 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 | nan | |||
89823450 | 126344 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 562 | 4 | 0 | 4 | 6.2 | N#Cc1ccc(C(F)(F)F)cc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | |||
CHEMBL3650393 | 126344 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 562 | 4 | 0 | 4 | 6.2 | N#Cc1ccc(C(F)(F)F)cc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | |||
22725647 | 173697 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4535696 | 173697 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
9857981 | 170785 | 11 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4453024 | 170785 | 11 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
118734689 | 118711 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 606 | 6 | 1 | 3 | 7.8 | CCC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2cc(OC)c(Br)cc21 | 10.1016/j.ejmech.2015.01.063 | |||
CHEMBL3417234 | 118711 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 606 | 6 | 1 | 3 | 7.8 | CCC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2cc(OC)c(Br)cc21 | 10.1016/j.ejmech.2015.01.063 | |||
89823428 | 126325 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 | nan | |||
CHEMBL3650375 | 126325 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 | nan | |||
4485 | 69377 | 118 | None | -1 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | |||
CHEMBL193 | 69377 | 118 | None | -1 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | |||
781 | 3394 | 80 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
9953769 | 3394 | 80 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | |||
162672927 | 183181 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 733 | 11 | 3 | 7 | 6.4 | O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
CHEMBL4795646 | 183181 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 733 | 11 | 3 | 7 | 6.4 | O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | |||
22725647 | 173697 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4535696 | 173697 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | |||
118723412 | 116323 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 531 | 6 | 2 | 5 | 4.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc4c(c3)OCO4)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | |||
CHEMBL3359301 | 116323 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 531 | 6 | 2 | 5 | 4.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc4c(c3)OCO4)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | |||
10133557 | 172537 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4483771 | 172537 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
10133557 | 172537 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4483771 | 172537 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
8447 | 188947 | 84 | None | -12 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | |||
CHEMBL508112 | 188947 | 84 | None | -12 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | |||
9945265 | 171181 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4459033 | 171181 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
3117 | 207839 | 103 | None | -2 | 16 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | |||
CHEMBL964 | 207839 | 103 | None | -2 | 16 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | |||
9945265 | 171181 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
CHEMBL4459033 | 171181 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | |||
46208367 | 83579 | 13 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | |||
CHEMBL2204263 | 83579 | 13 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | |||
12093170 | 871 | 31 | None | - | 1 | Human | 5.3 | pIC50 | < | 5.3 | Binding | Guide to Pharmacology | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | None | |||
9431 | 871 | 31 | None | - | 1 | Human | 5.3 | pIC50 | < | 5.3 | Binding | Guide to Pharmacology | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | None | |||
CHEMBL4519152 | 871 | 31 | None | - | 1 | Human | 5.3 | pIC50 | < | 5.3 | Binding | Guide to Pharmacology | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | None | |||
4410 | 3135 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
65015 | 3135 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
844 | 3135 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
CHEMBL18442 | 3135 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
DB06809 | 3135 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | |||
11598 | 672 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 30891130 | |||
23725177 | 672 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 30891130 | |||
CHEMBL4442783 | 672 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 30891130 | |||
10586 | 2137 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | Guide to Pharmacology | 379 | 5 | 1 | 6 | 4.3 | CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F | 18599682 | |||
11617815 | 2137 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | Guide to Pharmacology | 379 | 5 | 1 | 6 | 4.3 | CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F | 18599682 | |||
CHEMBL5290248 | 2137 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | Guide to Pharmacology | 379 | 5 | 1 | 6 | 4.3 | CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F | 18599682 | |||
46198579 | 3060 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | 511 | 6 | 1 | 7 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc(c1)C(F)(F)F | None | |||
9979 | 3060 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | 511 | 6 | 1 | 7 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc(c1)C(F)(F)F | None | |||
DB14955 | 3060 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | 511 | 6 | 1 | 7 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc(c1)C(F)(F)F | None | |||
176 | 398 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
2157 | 398 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
2566 | 398 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
CHEMBL633 | 398 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
DB01118 | 398 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
3117 | 207839 | 103 | None | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | |||
CHEMBL964 | 207839 | 103 | None | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | |||
4485 | 69377 | 118 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | None | |||
CHEMBL193 | 69377 | 118 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | None | |||
10585 | 1078 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 31742400 | |||
145996522 | 1078 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 31742400 | |||
CHEMBL4531005 | 1078 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 31742400 | |||
11560568 | 1884 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 409 | 6 | 4 | 6 | 1.7 | OCC(CNc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)cc2)C)O | None | |||
3502 | 1884 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 409 | 6 | 4 | 6 | 1.7 | OCC(CNc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)cc2)C)O | None | |||
CHEMBL1082152 | 1884 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 409 | 6 | 4 | 6 | 1.7 | OCC(CNc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)cc2)C)O | None | |||
44353447 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 12954060 | |||
785 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 12954060 | |||
CHEMBL337246 | 3773 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 12954060 | |||
781 | 3394 | 80 | None | - | 1 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 12954060 | |||
9953769 | 3394 | 80 | None | - | 1 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 12954060 | |||
CHEMBL134074 | 3394 | 80 | None | - | 1 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 12954060 | |||
10436045 | 3514 | 4 | None | -85 | 13 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 12954060 | |||
782 | 3514 | 4 | None | -85 | 13 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 12954060 | |||
CHEMBL432713 | 3514 | 4 | None | -85 | 13 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 12954060 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10318947 | |||
183790 | 3740 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10318947 | |||
783 | 3740 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10318947 | |||
CHEMBL1178786 | 3740 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 |