Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 2168 | 3945 | 38 | None | 12 | 6 | Rat | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2810 | 3945 | 38 | None | 12 | 6 | Rat | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 644077 | 3945 | 38 | None | 12 | 6 | Rat | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL373742 | 3945 | 38 | None | 12 | 6 | Rat | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB00067 | 3945 | 38 | None | 12 | 6 | Rat | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2168 | 3945 | 38 | None | 12 | 6 | Rat | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2810 | 3945 | 38 | None | 12 | 6 | Rat | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 644077 | 3945 | 38 | None | 12 | 6 | Rat | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL373742 | 3945 | 38 | None | 12 | 6 | Rat | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB00067 | 3945 | 38 | None | 12 | 6 | Rat | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1819441 | 208991 | 0 | None | 1 | 4 | Rat | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819441 | 208991 | 0 | None | 1 | 4 | Rat | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817706 | 208965 | 0 | None | 2 | 5 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817706 | 208965 | 0 | None | 2 | 5 | Rat | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819542 | 208994 | 9 | None | 2 | 4 | Rat | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819542 | 208994 | 9 | None | 2 | 4 | Rat | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817704 | 208963 | 0 | None | 2 | 5 | Rat | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 90285421 | 114956 | 0 | None | 9 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 334 | 4 | 1 | 5 | 2.7 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| CHEMBL3342789 | 114956 | 0 | None | 9 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 334 | 4 | 1 | 5 | 2.7 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| 3601935 | 162339 | 2 | None | -1 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 271 | 3 | 1 | 4 | 1.9 | Cn1nccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| CHEMBL4165132 | 162339 | 2 | None | -1 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 271 | 3 | 1 | 4 | 1.9 | Cn1nccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| CHEMBL1817704 | 208963 | 0 | None | 2 | 5 | Rat | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819540 | 208992 | 0 | None | 64 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819540 | 208992 | 0 | None | 64 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819441 | 208991 | 0 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819441 | 208991 | 0 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 76685194 | 114957 | 0 | None | 5 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.1 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| CHEMBL3342790 | 114957 | 0 | None | 5 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.1 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| 5014150 | 162831 | 1 | None | -1 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 305 | 3 | 1 | 4 | 2.2 | Cn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| CHEMBL4173036 | 162831 | 1 | None | -1 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 305 | 3 | 1 | 4 | 2.2 | Cn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| CHEMBL1817707 | 208966 | 0 | None | 3 | 5 | Rat | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817707 | 208966 | 0 | None | 3 | 5 | Rat | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 2042 | 2962 | 58 | None | -3 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| 2174 | 2962 | 58 | None | -3 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| 2176 | 2962 | 58 | None | -3 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| 439302 | 2962 | 58 | None | -3 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| CHEMBL395429 | 2962 | 58 | None | -3 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| DB00107 | 2962 | 58 | None | -3 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| CHEMBL1817706 | 208965 | 0 | None | -2 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817706 | 208965 | 0 | None | -2 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819541 | 208993 | 0 | None | 14 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 2168 | 3945 | 38 | None | -18 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2810 | 3945 | 38 | None | -18 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 644077 | 3945 | 38 | None | -18 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL373742 | 3945 | 38 | None | -18 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB00067 | 3945 | 38 | None | -18 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1819541 | 208993 | 0 | None | 14 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 2168 | 3945 | 38 | None | -18 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2810 | 3945 | 38 | None | -18 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 644077 | 3945 | 38 | None | -18 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL373742 | 3945 | 38 | None | -18 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB00067 | 3945 | 38 | None | -18 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1819555 | 209006 | 0 | None | 8 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819555 | 209006 | 0 | None | 8 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817705 | 208964 | 0 | None | 1 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817705 | 208964 | 0 | None | 1 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819542 | 208994 | 9 | None | -2 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819542 | 208994 | 9 | None | -2 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817705 | 208964 | 0 | None | -1 | 5 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817705 | 208964 | 0 | None | -1 | 5 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817761 | 208978 | 0 | None | 2 | 5 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817761 | 208978 | 0 | None | 2 | 5 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817702 | 208961 | 0 | None | 2 | 4 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817702 | 208961 | 0 | None | 2 | 4 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819440 | 208990 | 23 | None | 1 | 5 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819440 | 208990 | 23 | None | 1 | 5 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817704 | 208963 | 0 | None | -2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817704 | 208963 | 0 | None | -2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819543 | 208995 | 0 | None | 18 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819543 | 208995 | 0 | None | 18 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819548 | 209000 | 0 | None | 53 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 56672274 | 64748 | 0 | None | - | 1 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1063 | 20 | 13 | 16 | -5.1 | CCC(N)C(=O)NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||
| CHEMBL1819439 | 64748 | 0 | None | - | 1 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1063 | 20 | 13 | 16 | -5.1 | CCC(N)C(=O)NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||
| CHEMBL1819548 | 209000 | 0 | None | 53 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 56672274 | 64748 | 0 | None | - | 1 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1063 | 20 | 13 | 16 | -5.1 | CCC(N)C(=O)NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||
| CHEMBL1819439 | 64748 | 0 | None | - | 1 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1063 | 20 | 13 | 16 | -5.1 | CCC(N)C(=O)NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||
| 11454 | 3551 | 11 | None | 4 | 5 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53330936 | 3551 | 11 | None | 4 | 5 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817709 | 3551 | 11 | None | 4 | 5 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB12495 | 3551 | 11 | None | 4 | 5 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 11454 | 3551 | 11 | None | 4 | 5 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53330936 | 3551 | 11 | None | 4 | 5 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817709 | 3551 | 11 | None | 4 | 5 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB12495 | 3551 | 11 | None | 4 | 5 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817707 | 208966 | 0 | None | -3 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817707 | 208966 | 0 | None | -3 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819549 | 209001 | 0 | None | 47 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819549 | 209001 | 0 | None | 47 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817756 | 208973 | 0 | None | 4 | 5 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817756 | 208973 | 0 | None | 4 | 5 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817761 | 208978 | 0 | None | -2 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819440 | 208990 | 23 | None | -1 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817761 | 208978 | 0 | None | -2 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819440 | 208990 | 23 | None | -1 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819554 | 209005 | 0 | None | 5 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819554 | 209005 | 0 | None | 5 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817708 | 208967 | 0 | None | 53 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNCCC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817708 | 208967 | 0 | None | 53 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNCCC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817702 | 208961 | 0 | None | -2 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817702 | 208961 | 0 | None | -2 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819556 | 209007 | 0 | None | 67 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819556 | 209007 | 0 | None | 67 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817754 | 208971 | 0 | None | 7 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817754 | 208971 | 0 | None | 7 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 53362258 | 64594 | 0 | None | 1 | 3 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 1005 | 17 | 11 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817695 | 64594 | 0 | None | 1 | 3 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 1005 | 17 | 11 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N(C)C)NC1=O | 10.1021/jm200278m | ||
| 53362155 | 64773 | 0 | None | 25 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1021 | 19 | 12 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819560 | 64773 | 0 | None | 25 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1021 | 19 | 12 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O | 10.1021/jm200278m | ||
| 53362155 | 64773 | 0 | None | 25 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1021 | 19 | 12 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819560 | 64773 | 0 | None | 25 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1021 | 19 | 12 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817752 | 208969 | 0 | None | 77 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817692 | 208960 | 0 | None | 5 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817752 | 208969 | 0 | None | 77 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817770 | 208987 | 0 | None | 40 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817770 | 208987 | 0 | None | 40 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817692 | 208960 | 0 | None | 5 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817755 | 208972 | 0 | None | 20 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817755 | 208972 | 0 | None | 20 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817772 | 208989 | 0 | None | 11 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817772 | 208989 | 0 | None | 11 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362258 | 64594 | 0 | None | -1 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1005 | 17 | 11 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817695 | 64594 | 0 | None | -1 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1005 | 17 | 11 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N(C)C)NC1=O | 10.1021/jm200278m | ||
| 53362258 | 64594 | 0 | None | -1 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1005 | 17 | 11 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817695 | 64594 | 0 | None | -1 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1005 | 17 | 11 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817749 | 208968 | 0 | None | 1 | 3 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817757 | 208974 | 0 | None | 52 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817769 | 208986 | 0 | None | 7 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819552 | 209003 | 0 | None | 3 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 2369069 | 179260 | 6 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 346 | 3 | 0 | 5 | 4.0 | CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1 | nan | ||
| CHEMBL473106 | 179260 | 6 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 346 | 3 | 0 | 5 | 4.0 | CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1 | nan | ||
| CHEMBL1817769 | 208986 | 0 | None | 7 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819552 | 209003 | 0 | None | 3 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817762 | 208979 | 0 | None | 43 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362202 | 64591 | 0 | None | 5 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1007 | 18 | 13 | 16 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817691 | 64591 | 0 | None | 5 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1007 | 18 | 13 | 16 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| 25161471 | 55009 | 15 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 265 | 4 | 2 | 2 | 3.5 | Oc1ccc(Cl)cc1CNCc1ccc(F)cc1 | nan | ||
| CHEMBL1356933 | 55009 | 15 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 265 | 4 | 2 | 2 | 3.5 | Oc1ccc(Cl)cc1CNCc1ccc(F)cc1 | nan | ||
| CHEMBL1616435 | 55009 | 15 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 265 | 4 | 2 | 2 | 3.5 | Oc1ccc(Cl)cc1CNCc1ccc(F)cc1 | nan | ||
| 53362202 | 64591 | 0 | None | 5 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1007 | 18 | 13 | 16 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817691 | 64591 | 0 | None | 5 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1007 | 18 | 13 | 16 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817762 | 208979 | 0 | None | 43 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817767 | 208984 | 0 | None | 10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817767 | 208984 | 0 | None | 10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819553 | 209004 | 0 | None | 19 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 5329098 | 98547 | 79 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 238 | 1 | 2 | 1 | 3.1 | Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 | nan | ||
| CHEMBL276711 | 98547 | 79 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 238 | 1 | 2 | 1 | 3.1 | Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 | nan | ||
| 2919564 | 30171 | 18 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 404 | 9 | 2 | 5 | 4.0 | COc1ccc(CCNCC(O)Cn2c3ccccc3c3ccccc32)cc1OC | nan | ||
| CHEMBL1390471 | 30171 | 18 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 404 | 9 | 2 | 5 | 4.0 | COc1ccc(CCNCC(O)Cn2c3ccccc3c3ccccc32)cc1OC | nan | ||
| CHEMBL1819553 | 209004 | 0 | None | 19 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817763 | 208980 | 0 | None | 19 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817759 | 208976 | 0 | None | 31 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817763 | 208980 | 0 | None | 19 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817759 | 208976 | 0 | None | 31 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817760 | 208977 | 0 | None | 14 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817758 | 208975 | 0 | None | 63 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817760 | 208977 | 0 | None | 14 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817758 | 208975 | 0 | None | 63 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 1112934 | 56064 | 8 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 4.7 | N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 | nan | ||
| CHEMBL1587205 | 56064 | 8 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 4.7 | N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 | nan | ||
| CHEMBL1625302 | 56064 | 8 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 4.7 | N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 | nan | ||
| 53362312 | 64598 | 0 | None | 3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1051 | 20 | 14 | 17 | -6.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC(CO)CO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817699 | 64598 | 0 | None | 3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1051 | 20 | 14 | 17 | -6.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC(CO)CO)NC1=O | 10.1021/jm200278m | ||
| 53362312 | 64598 | 0 | None | 3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1051 | 20 | 14 | 17 | -6.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC(CO)CO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817699 | 64598 | 0 | None | 3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1051 | 20 | 14 | 17 | -6.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC(CO)CO)NC1=O | 10.1021/jm200278m | ||
| 42601352 | 35373 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 282 | 4 | 2 | 3 | 3.4 | Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 | nan | ||
| CHEMBL1437791 | 35373 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 282 | 4 | 2 | 3 | 3.4 | Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 | nan | ||
| CHEMBL3211384 | 35373 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 282 | 4 | 2 | 3 | 3.4 | Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 | nan | ||
| CHEMBL1817671 | 208959 | 0 | None | 53 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817671 | 208959 | 0 | None | 53 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819547 | 208999 | 0 | None | 22 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 6174589 | 107559 | 7 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 379 | 6 | 2 | 6 | 2.0 | CCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccncc3)oc2c1 | nan | ||
| CHEMBL3189462 | 107559 | 7 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 379 | 6 | 2 | 6 | 2.0 | CCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccncc3)oc2c1 | nan | ||
| CHEMBL1819547 | 208999 | 0 | None | 22 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817749 | 208968 | 0 | None | 1 | 3 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362311 | 64597 | 0 | None | 1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1035 | 20 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817698 | 64597 | 0 | None | 1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1035 | 20 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819555 | 209006 | 0 | None | -8 | 4 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362311 | 64597 | 0 | None | 1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1035 | 20 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817698 | 64597 | 0 | None | 1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1035 | 20 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819555 | 209006 | 0 | None | -8 | 4 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819550 | 209002 | 0 | None | 47 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819550 | 209002 | 0 | None | 47 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 11454 | 3551 | 11 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53330936 | 3551 | 11 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817709 | 3551 | 11 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB12495 | 3551 | 11 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817753 | 208970 | 0 | None | 26 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 11454 | 3551 | 11 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53330936 | 3551 | 11 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817709 | 3551 | 11 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB12495 | 3551 | 11 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817753 | 208970 | 0 | None | 26 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817756 | 208973 | 0 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817756 | 208973 | 0 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362548 | 64603 | 0 | None | 1 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817751 | 64603 | 0 | None | 1 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 53362548 | 64603 | 0 | None | 1 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817751 | 64603 | 0 | None | 1 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 53362311 | 64597 | 0 | None | -1 | 3 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1035 | 20 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817698 | 64597 | 0 | None | -1 | 3 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1035 | 20 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O | 10.1021/jm200278m | ||
| 53362311 | 64597 | 0 | None | -1 | 3 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1035 | 20 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817698 | 64597 | 0 | None | -1 | 3 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1035 | 20 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817749 | 208968 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817749 | 208968 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362154 | 64772 | 0 | None | 7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1047 | 20 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819559 | 64772 | 0 | None | 7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1047 | 20 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O | 10.1021/jm200278m | ||
| 3650228 | 55955 | 6 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 402 | 5 | 2 | 3 | 5.1 | COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 | nan | ||
| CHEMBL1549574 | 55955 | 6 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 402 | 5 | 2 | 3 | 5.1 | COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 | nan | ||
| CHEMBL1624349 | 55955 | 6 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 402 | 5 | 2 | 3 | 5.1 | COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 | nan | ||
| 53362154 | 64772 | 0 | None | 7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1047 | 20 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819559 | 64772 | 0 | None | 7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1047 | 20 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O | 10.1021/jm200278m | ||
| 215028 | 55242 | 3 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 330 | 1 | 1 | 3 | 4.0 | Clc1ccc2c(c1)C(N1CCNCC1)Cc1ccccc1S2 | nan | ||
| CHEMBL1339676 | 55242 | 3 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 330 | 1 | 1 | 3 | 4.0 | Clc1ccc2c(c1)C(N1CCNCC1)Cc1ccccc1S2 | nan | ||
| CHEMBL1618211 | 55242 | 3 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 330 | 1 | 1 | 3 | 4.0 | Clc1ccc2c(c1)C(N1CCNCC1)Cc1ccccc1S2 | nan | ||
| 23983726 | 48817 | 2 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 472 | 1 | 3 | 3 | 6.2 | CC1(C)CC[C@@]2(C(=O)O)C(C1)C1=CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O | nan | ||
| CHEMBL1559201 | 48817 | 2 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 472 | 1 | 3 | 3 | 6.2 | CC1(C)CC[C@@]2(C(=O)O)C(C1)C1=CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O | nan | ||
| 2042 | 2962 | 58 | None | -3 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2174 | 2962 | 58 | None | -3 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2176 | 2962 | 58 | None | -3 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 439302 | 2962 | 58 | None | -3 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL395429 | 2962 | 58 | None | -3 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| DB00107 | 2962 | 58 | None | -3 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL1817703 | 208962 | 0 | None | 7 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819545 | 208997 | 0 | None | 6 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817771 | 208988 | 0 | None | 44 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817771 | 208988 | 0 | None | 44 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362204 | 64592 | 0 | None | 10 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817693 | 64592 | 0 | None | 10 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 53362204 | 64592 | 0 | None | 10 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817693 | 64592 | 0 | None | 10 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 53362547 | 64602 | 0 | None | 2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 977 | 16 | 12 | 15 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817750 | 64602 | 0 | None | 2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 977 | 16 | 12 | 15 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 53362547 | 64602 | 0 | None | 2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 977 | 16 | 12 | 15 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817750 | 64602 | 0 | None | 2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 977 | 16 | 12 | 15 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817703 | 208962 | 0 | None | 7 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819545 | 208997 | 0 | None | 6 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53363017 | 64771 | 0 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1019 | 19 | 12 | 15 | -4.0 | CCNC(=O)CC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819558 | 64771 | 0 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1019 | 19 | 12 | 15 | -4.0 | CCNC(=O)CC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 53363017 | 64771 | 0 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1019 | 19 | 12 | 15 | -4.0 | CCNC(=O)CC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819558 | 64771 | 0 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1019 | 19 | 12 | 15 | -4.0 | CCNC(=O)CC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 53362259 | 64595 | 0 | None | 13 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 993 | 17 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817696 | 64595 | 0 | None | 13 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 993 | 17 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| 53362259 | 64595 | 0 | None | 13 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 993 | 17 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817696 | 64595 | 0 | None | 13 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 993 | 17 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819554 | 209005 | 0 | None | -5 | 4 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819554 | 209005 | 0 | None | -5 | 4 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362369 | 64601 | 0 | None | 8 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1065 | 22 | 13 | 17 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817701 | 64601 | 0 | None | 8 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1065 | 22 | 13 | 17 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O | 10.1021/jm200278m | ||
| 53362548 | 64603 | 0 | None | -1 | 4 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817751 | 64603 | 0 | None | -1 | 4 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 53362369 | 64601 | 0 | None | 8 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1065 | 22 | 13 | 17 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817701 | 64601 | 0 | None | 8 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1065 | 22 | 13 | 17 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O | 10.1021/jm200278m | ||
| 53362548 | 64603 | 0 | None | -1 | 4 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817751 | 64603 | 0 | None | -1 | 4 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 449224 | 168951 | 12 | None | -208 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL439044 | 168951 | 12 | None | -208 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| 3385342 | 40116 | 6 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 384 | 6 | 2 | 5 | 3.2 | CC(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)N1CCOCC1 | nan | ||
| CHEMBL1479813 | 40116 | 6 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 384 | 6 | 2 | 5 | 3.2 | CC(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)N1CCOCC1 | nan | ||
| 2871994 | 41659 | 15 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 324 | 3 | 1 | 4 | 2.4 | O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1CCO | nan | ||
| CHEMBL1492232 | 41659 | 15 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 324 | 3 | 1 | 4 | 2.4 | O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1CCO | nan | ||
| 53362368 | 64600 | 0 | None | 5 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1035 | 19 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCC(C)O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817700 | 64600 | 0 | None | 5 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1035 | 19 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCC(C)O)NC1=O | 10.1021/jm200278m | ||
| 53362368 | 64600 | 0 | None | 5 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1035 | 19 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCC(C)O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817700 | 64600 | 0 | None | 5 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1035 | 19 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCC(C)O)NC1=O | 10.1021/jm200278m | ||
| 53362257 | 64593 | 0 | None | 5 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817694 | 64593 | 0 | None | 5 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 53362257 | 64593 | 0 | None | 5 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817694 | 64593 | 0 | None | 5 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819544 | 208996 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819544 | 208996 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817770 | 208987 | 0 | None | -40 | 4 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817770 | 208987 | 0 | None | -40 | 4 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53363016 | 64770 | 0 | None | 9 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819557 | 64770 | 0 | None | 9 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 53363016 | 64770 | 0 | None | 9 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819557 | 64770 | 0 | None | 9 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 3484134 | 51724 | 6 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 407 | 5 | 2 | 3 | 4.6 | CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccccc1)N1CCOCC1 | nan | ||
| CHEMBL1584768 | 51724 | 6 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 407 | 5 | 2 | 3 | 4.6 | CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccccc1)N1CCOCC1 | nan | ||
| 1471100 | 24385 | 15 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 350 | 1 | 1 | 4 | 3.7 | O=c1c2cc(Br)ccc2nc(-c2cccc(Cl)c2)n1O | nan | ||
| CHEMBL1341433 | 24385 | 15 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 350 | 1 | 1 | 4 | 3.7 | O=c1c2cc(Br)ccc2nc(-c2cccc(Cl)c2)n1O | nan | ||
| 53362156 | 64590 | 0 | None | 7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1035 | 19 | 11 | 16 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N(C)OC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817690 | 64590 | 0 | None | 7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1035 | 19 | 11 | 16 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N(C)OC)NC1=O | 10.1021/jm200278m | ||
| 53362156 | 64590 | 0 | None | 7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1035 | 19 | 11 | 16 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N(C)OC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817690 | 64590 | 0 | None | 7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1035 | 19 | 11 | 16 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N(C)OC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817764 | 208981 | 0 | None | 47 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817764 | 208981 | 0 | None | 47 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817765 | 208982 | 0 | None | 51 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817765 | 208982 | 0 | None | 51 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817768 | 208985 | 0 | None | 15 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 2042 | 2962 | 58 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | ||||
| 2174 | 2962 | 58 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | ||||
| 2176 | 2962 | 58 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | ||||
| 439302 | 2962 | 58 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | ||||
| CHEMBL395429 | 2962 | 58 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | ||||
| DB00107 | 2962 | 58 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | ||||
| CHEMBL1817768 | 208985 | 0 | None | 15 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817766 | 208983 | 0 | None | 13 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362310 | 64596 | 0 | None | 3 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1021 | 19 | 13 | 16 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817697 | 64596 | 0 | None | 3 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1021 | 19 | 13 | 16 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817766 | 208983 | 0 | None | 13 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817754 | 208971 | 0 | None | -7 | 3 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 53362310 | 64596 | 0 | None | 3 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1021 | 19 | 13 | 16 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817697 | 64596 | 0 | None | 3 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1021 | 19 | 13 | 16 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817754 | 208971 | 0 | None | -7 | 3 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817692 | 208960 | 0 | None | -5 | 3 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817692 | 208960 | 0 | None | -5 | 3 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 25163004 | 72888 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 1317 | 54 | 6 | 22 | 6.4 | C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C[C@@H](C)CC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(=O)O)n3cc(CCCCCN)nn3)CC2)n1 | nan | ||
| CHEMBL2004487 | 72888 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 1317 | 54 | 6 | 22 | 6.4 | C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C[C@@H](C)CC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(=O)O)n3cc(CCCCCN)nn3)CC2)n1 | nan | ||
| 2042 | 2962 | 58 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2174 | 2962 | 58 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2176 | 2962 | 58 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 439302 | 2962 | 58 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL395429 | 2962 | 58 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| DB00107 | 2962 | 58 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 9935206 | 66032 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 487 | 4 | 0 | 7 | 2.8 | CN(C)S(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837039 | 66032 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 487 | 4 | 0 | 7 | 2.8 | CN(C)S(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| 162676461 | 183488 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL4799793 | 183488 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c00863 | ||
| 162676461 | 183488 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4799793 | 183488 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL5070261 | 214206 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | None | None | None | OC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||||
| CHEMBL5074709 | 214304 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | None | None | None | O[C@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||||
| 10456892 | 66035 | 0 | None | 74 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 458 | 3 | 0 | 7 | 3.0 | CS(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837041 | 66035 | 0 | None | 74 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 458 | 3 | 0 | 7 | 3.0 | CS(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| 162676448 | 183459 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 438 | 3 | 0 | 5 | 5.0 | Brc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4799412 | 183459 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 438 | 3 | 0 | 5 | 5.0 | Brc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 162655262 | 180722 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 426 | 2 | 0 | 5 | 5.3 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Br)cc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4756031 | 180722 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 426 | 2 | 0 | 5 | 5.3 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Br)cc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL5070075 | 214203 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | None | None | None | O[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||||
| CHEMBL5081323 | 214720 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | None | None | None | Cc1ccc2c(c1)CC(O)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c00863 | ||||
| 162669344 | 182662 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 438 | 2 | 0 | 3 | 4.1 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4789306 | 182662 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 438 | 2 | 0 | 3 | 4.1 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 10444 | 2312 | 14 | None | -61 | 4 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 139030525 | 2312 | 14 | None | -61 | 4 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145711714 | 2312 | 14 | None | -61 | 4 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204210 | 2312 | 14 | None | -61 | 4 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 162649115 | 179845 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 368 | 2 | 0 | 5 | 4.8 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4745524 | 179845 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 368 | 2 | 0 | 5 | 4.8 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| 162668040 | 182494 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 371 | 1 | 1 | 4 | 3.3 | C[C@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4787124 | 182494 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 371 | 1 | 1 | 4 | 3.3 | C[C@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| 135192889 | 174025 | 0 | None | -25 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 425 | 5 | 0 | 6 | 4.1 | COc1ccc(-n2c(C3CC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4543809 | 174025 | 0 | None | -25 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 425 | 5 | 0 | 6 | 4.1 | COc1ccc(-n2c(C3CC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 162658180 | 181037 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 466 | 2 | 0 | 3 | 4.9 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4759676 | 181037 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 466 | 2 | 0 | 3 | 4.9 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162662884 | 181888 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 440 | 2 | 0 | 3 | 4.4 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C(C)C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4779447 | 181888 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 440 | 2 | 0 | 3 | 4.4 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C(C)C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 11326488 | 66028 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 380 | 2 | 1 | 6 | 3.3 | Clc1ccc2c(c1)CNCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837035 | 66028 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 380 | 2 | 1 | 6 | 3.3 | Clc1ccc2c(c1)CNCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | ||
| 145965794 | 164349 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 462 | 5 | 3 | 7 | 2.6 | COC(=O)CNC(=O)NCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4212928 | 164349 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 462 | 5 | 3 | 7 | 2.6 | COC(=O)CNC(=O)NCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1C | 10.1021/acs.jmedchem.8b00697 | ||
| 137212772 | 137915 | 0 | None | 3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763951 | 137915 | 0 | None | 3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| 137212772 | 137915 | 0 | None | 3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL3763951 | 137915 | 0 | None | 3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| 23598597 | 94068 | 0 | None | -91 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 528 | 5 | 2 | 4 | 5.8 | COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1CCC2(C=C(C(=O)O)CC2)Cc2ccccc21 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249133 | 94068 | 0 | None | -91 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 528 | 5 | 2 | 4 | 5.8 | COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1CCC2(C=C(C(=O)O)CC2)Cc2ccccc21 | 10.1016/j.bmcl.2007.09.059 | ||
| 10359487 | 66011 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 333 | 4 | 0 | 5 | 3.4 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837018 | 66011 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 333 | 4 | 0 | 5 | 3.4 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 162661138 | 181485 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 345 | 2 | 0 | 5 | 3.5 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3CCC4)CC2)nc1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4764976 | 181485 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 345 | 2 | 0 | 5 | 3.5 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3CCC4)CC2)nc1 | 10.1016/j.bmcl.2020.127417 | ||
| 9829108 | 5204 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL106293 | 5204 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 2200 | 3286 | 46 | None | 1548 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1016/j.bmcl.2011.08.038 | ||
| 3482 | 3286 | 46 | None | 1548 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1016/j.bmcl.2011.08.038 | ||
| 60943 | 3286 | 46 | None | 1548 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL419667 | 3286 | 46 | None | 1548 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1016/j.bmcl.2011.08.038 | ||
| DB13929 | 3286 | 46 | None | 1548 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1016/j.bmcl.2011.08.038 | ||
| 162648487 | 179939 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 423 | 2 | 0 | 5 | 4.3 | Brc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4746716 | 179939 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 423 | 2 | 0 | 5 | 4.3 | Brc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 23598619 | 94510 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 498 | 4 | 1 | 4 | 5.6 | COC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL251771 | 94510 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 498 | 4 | 1 | 4 | 5.6 | COC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 11337030 | 66005 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 349 | 4 | 0 | 6 | 3.4 | COc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837012 | 66005 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 349 | 4 | 0 | 6 | 3.4 | COc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 21064040 | 66023 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 377 | 3 | 0 | 7 | 3.1 | COc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837030 | 66023 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 377 | 3 | 0 | 7 | 3.1 | COc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | ||
| 162661774 | 181381 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 439 | 3 | 0 | 3 | 4.1 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C(C)C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4763639 | 181381 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 439 | 3 | 0 | 3 | 4.1 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C(C)C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 44336418 | 108160 | 0 | None | 2 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 569 | 6 | 2 | 5 | 5.0 | COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL319636 | 108160 | 0 | None | 2 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 569 | 6 | 2 | 5 | 5.0 | COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 145961670 | 161340 | 0 | None | 123 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 1139 | 19 | 14 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4126100 | 161340 | 0 | None | 123 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 1139 | 19 | 14 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 162646538 | 179582 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 412 | 1 | 0 | 3 | 3.8 | CC(=O)N1CCN(C(=O)N2CCN(c3ccccc3C)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4742335 | 179582 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 412 | 1 | 0 | 3 | 3.8 | CC(=O)N1CCN(C(=O)N2CCN(c3ccccc3C)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| 162656367 | 180866 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 370 | 1 | 1 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCNc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4757593 | 180866 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 370 | 1 | 1 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCNc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162660975 | 181833 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 2 | 0 | 5 | 3.8 | Clc1ccc2c(c1)CCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4778700 | 181833 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 2 | 0 | 5 | 3.8 | Clc1ccc2c(c1)CCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 56672569 | 66014 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 347 | 4 | 0 | 5 | 3.7 | Cc1ccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837021 | 66014 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 347 | 4 | 0 | 5 | 3.7 | Cc1ccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 44352783 | 116755 | 0 | None | -4 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 508 | 6 | 2 | 4 | 6.5 | O=C(Nc1ccc(C(=O)N2CCC(CCO)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL337725 | 116755 | 0 | None | -4 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 508 | 6 | 2 | 4 | 6.5 | O=C(Nc1ccc(C(=O)N2CCC(CCO)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| 44336403 | 5350 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 580 | 7 | 2 | 4 | 5.6 | O=C(NCCN1CCCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL107058 | 5350 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 580 | 7 | 2 | 4 | 5.6 | O=C(NCCN1CCCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 3537 | 3973 | 22 | None | -57 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 5311500 | 3973 | 22 | None | -57 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL363910 | 3973 | 22 | None | -57 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 11740204 | 66015 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 375 | 7 | 0 | 5 | 4.4 | CCCCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837022 | 66015 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 375 | 7 | 0 | 5 | 4.4 | CCCCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 21925639 | 66024 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 381 | 2 | 0 | 6 | 3.7 | Clc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837031 | 66024 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 381 | 2 | 0 | 6 | 3.7 | Clc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | ||
| 162647212 | 179677 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 391 | 1 | 1 | 4 | 3.6 | O=C(N1CCN(c2ncccc2Cl)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4743785 | 179677 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 391 | 1 | 1 | 4 | 3.6 | O=C(N1CCN(c2ncccc2Cl)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| 135192932 | 171504 | 0 | None | -190 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 443 | 7 | 0 | 7 | 3.8 | CCOCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4464246 | 171504 | 0 | None | -190 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 443 | 7 | 0 | 7 | 3.8 | CCOCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 9828129 | 116595 | 0 | None | -91 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL336825 | 116595 | 0 | None | -91 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 10318802 | 66020 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 400 | 6 | 0 | 8 | 2.7 | c1ccc(Cn2c(Cn3nccn3)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837027 | 66020 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 400 | 6 | 0 | 8 | 2.7 | c1ccc(Cn2c(Cn3nccn3)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 162646888 | 179535 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 437 | 3 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4741743 | 179535 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 437 | 3 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 142391805 | 173953 | 0 | None | -35 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 435 | 5 | 0 | 6 | 4.2 | COc1ccc(-n2c(C(F)F)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4541860 | 173953 | 0 | None | -35 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 435 | 5 | 0 | 6 | 4.2 | COc1ccc(-n2c(C(F)F)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 145976595 | 163691 | 0 | None | -2 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4205046 | 163691 | 0 | None | -2 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 44444761 | 94136 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 532 | 4 | 1 | 4 | 6.2 | COC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249536 | 94136 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 532 | 4 | 1 | 4 | 6.2 | COC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 135192895 | 173962 | 0 | None | -8 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 485 | 7 | 0 | 8 | 3.5 | COc1ccc(-n2c(CO[C@@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4542267 | 173962 | 0 | None | -8 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 485 | 7 | 0 | 8 | 3.5 | COc1ccc(-n2c(CO[C@@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 11473073 | 66006 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 333 | 3 | 0 | 5 | 3.7 | Cc1ccccc1-n1c(C)nnc1C1CCN(c2ccccn2)CC1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837013 | 66006 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 333 | 3 | 0 | 5 | 3.7 | Cc1ccccc1-n1c(C)nnc1C1CCN(c2ccccn2)CC1 | 10.1016/j.bmcl.2011.08.038 | ||
| 59657596 | 118640 | 31 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL3416885 | 118640 | 31 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| 59657596 | 118640 | 31 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL3416885 | 118640 | 31 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/acs.jmedchem.1c00863 | ||
| 162655215 | 180785 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 382 | 2 | 0 | 5 | 5.1 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4756737 | 180785 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 382 | 2 | 0 | 5 | 5.1 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| 162655954 | 180743 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 465 | 3 | 0 | 3 | 5.3 | Cc1ccccc1N1CCN(C(=O)N2C[C@@H](C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4756212 | 180743 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 465 | 3 | 0 | 3 | 5.3 | Cc1ccccc1N1CCN(C(=O)N2C[C@@H](C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162643927 | 181783 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 466 | 2 | 0 | 3 | 4.2 | Cc1ccccc1N1CCN(C(=O)N2C[C@@H](C(=O)N3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4778087 | 181783 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 466 | 2 | 0 | 3 | 4.2 | Cc1ccccc1N1CCN(C(=O)N2C[C@@H](C(=O)N3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127417 | ||
| 162658238 | 180982 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 369 | 2 | 0 | 5 | 3.5 | C#Cc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4759005 | 180982 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 369 | 2 | 0 | 5 | 3.5 | C#Cc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 10411308 | 201211 | 0 | None | -2 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL603708 | 201211 | 0 | None | -2 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 17989455 | 65588 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 361 | 2 | 0 | 6 | 3.4 | Cc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1834004 | 65588 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 361 | 2 | 0 | 6 | 3.4 | Cc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | ||
| 22017591 | 66016 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 377 | 7 | 0 | 6 | 3.6 | CCOCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837023 | 66016 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 377 | 7 | 0 | 6 | 3.6 | CCOCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 162664826 | 182074 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 448 | 2 | 0 | 4 | 3.1 | Cc1ccccc1N1CCN(C(=O)N2CN(S(C)(=O)=O)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4781783 | 182074 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 448 | 2 | 0 | 4 | 3.1 | Cc1ccccc1N1CCN(C(=O)N2CN(S(C)(=O)=O)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 23598595 | 154779 | 0 | None | 2 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 542 | 5 | 2 | 3 | 7.0 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL400266 | 154779 | 0 | None | 2 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 542 | 5 | 2 | 3 | 7.0 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 162645320 | 179482 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 360 | 3 | 0 | 5 | 4.3 | c1ccc(O[C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)nc1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4741178 | 179482 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 360 | 3 | 0 | 5 | 4.3 | c1ccc(O[C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)nc1 | 10.1016/j.bmcl.2020.127417 | ||
| 4391207 | 57194 | 1 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 311 | 3 | 0 | 3 | 4.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1649949 | 57194 | 1 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 311 | 3 | 0 | 3 | 4.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 162658540 | 181079 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 369 | 1 | 0 | 2 | 4.3 | Cc1ccccc1N1CCN(C(=O)N2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4760164 | 181079 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 369 | 1 | 0 | 2 | 4.3 | Cc1ccccc1N1CCN(C(=O)N2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 44352804 | 18927 | 0 | None | -24 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL128688 | 18927 | 0 | None | -24 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 162648022 | 179950 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 479 | 3 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4746818 | 179950 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 479 | 3 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 44352757 | 118428 | 0 | None | -58 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL341173 | 118428 | 0 | None | -58 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 162655687 | 180758 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 452 | 5 | 0 | 7 | 4.6 | COC(=O)CC1Cc2cc(Cl)ccc2-n2c1nnc2[C@H]1CC[C@H](Oc2ccccn2)CC1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4756354 | 180758 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 452 | 5 | 0 | 7 | 4.6 | COC(=O)CC1Cc2cc(Cl)ccc2-n2c1nnc2[C@H]1CC[C@H](Oc2ccccn2)CC1 | 10.1016/j.bmcl.2020.127417 | ||
| 10444 | 2312 | 14 | None | -61 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 139030525 | 2312 | 14 | None | -61 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145711714 | 2312 | 14 | None | -61 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204210 | 2312 | 14 | None | -61 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 44336799 | 107204 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 596 | 7 | 2 | 5 | 4.8 | O=C(NCCN1CCOCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL316736 | 107204 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 596 | 7 | 2 | 5 | 4.8 | O=C(NCCN1CCOCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 56672567 | 66008 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 344 | 3 | 0 | 6 | 3.2 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(C#N)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837015 | 66008 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 344 | 3 | 0 | 6 | 3.2 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(C#N)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 22017582 | 66019 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 407 | 8 | 1 | 7 | 2.7 | O=C(O)COCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837026 | 66019 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 407 | 8 | 1 | 7 | 2.7 | O=C(O)COCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 22017577 | 66017 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 418 | 6 | 0 | 7 | 2.9 | c1ccc(Cn2c(CN3CCOCC3)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837024 | 66017 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 418 | 6 | 0 | 7 | 2.9 | c1ccc(Cn2c(CN3CCOCC3)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 162670181 | 182729 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 465 | 3 | 0 | 3 | 5.3 | Cc1ccccc1N1CCN(C(=O)N2C[C@H](C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4790089 | 182729 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 465 | 3 | 0 | 3 | 5.3 | Cc1ccccc1N1CCN(C(=O)N2C[C@H](C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162667087 | 182415 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 348 | 2 | 0 | 5 | 4.5 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4786172 | 182415 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 348 | 2 | 0 | 5 | 4.5 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| 162676230 | 183301 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 373 | 3 | 0 | 5 | 4.1 | CCc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4797387 | 183301 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 373 | 3 | 0 | 5 | 4.1 | CCc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 162657843 | 181121 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 370 | 2 | 0 | 4 | 3.4 | CN1CCN(C(=O)C2CCN(c3ccccn3)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4760698 | 181121 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 370 | 2 | 0 | 4 | 3.4 | CN1CCN(C(=O)C2CCN(c3ccccn3)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| 162652318 | 180298 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 356 | 2 | 1 | 4 | 3.4 | O=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4751140 | 180298 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 356 | 2 | 1 | 4 | 3.4 | O=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127417 | ||
| 25133000 | 94165 | 0 | None | -2 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 626 | 6 | 3 | 6 | 4.4 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)NS(N)(=O)=O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249740 | 94165 | 0 | None | -2 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 626 | 6 | 3 | 6 | 4.4 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)NS(N)(=O)=O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 21925586 | 66029 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 360 | 2 | 0 | 6 | 3.0 | CN1Cc2ccccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837036 | 66029 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 360 | 2 | 0 | 6 | 3.0 | CN1Cc2ccccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| 162648022 | 179950 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 3 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4746818 | 179950 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 3 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162665294 | 182349 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 383 | 0 | 1 | 3 | 4.2 | O=C(N1CCC2(CC1)OCc1ccccc12)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4785083 | 182349 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 383 | 0 | 1 | 3 | 4.2 | O=C(N1CCC2(CC1)OCc1ccccc12)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| 162661801 | 181431 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 336 | 1 | 1 | 3 | 3.2 | Cc1ccccc1N1CCN(C(=O)N2CCNc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4764410 | 181431 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 336 | 1 | 1 | 3 | 3.2 | Cc1ccccc1N1CCN(C(=O)N2CCNc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 135192983 | 176094 | 14 | None | -190 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4591825 | 176094 | 14 | None | -190 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 10474163 | 66013 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 367 | 4 | 0 | 5 | 4.1 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837020 | 66013 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 367 | 4 | 0 | 5 | 4.1 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2011.08.038 | ||
| 23598600 | 5335 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 594 | 7 | 2 | 4 | 5.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL106938 | 5335 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 594 | 7 | 2 | 4 | 5.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 44336784 | 109181 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 626 | 9 | 2 | 4 | 7.0 | CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL321656 | 109181 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 626 | 9 | 2 | 4 | 7.0 | CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 56682562 | 66021 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 434 | 6 | 0 | 8 | 3.4 | Clc1cccc(Cn2c(Cn3nccn3)nnc2C2CCN(c3ccccn3)CC2)c1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837028 | 66021 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 434 | 6 | 0 | 8 | 3.4 | Clc1cccc(Cn2c(Cn3nccn3)nnc2C2CCN(c3ccccn3)CC2)c1 | 10.1016/j.bmcl.2011.08.038 | ||
| 10615 | 570 | 32 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| 46200932 | 570 | 32 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4297183 | 570 | 32 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| DB14823 | 570 | 32 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| 151171 | 1155 | 50 | None | 3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 216322 | 1155 | 50 | None | 3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 2203 | 1155 | 50 | None | 3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 732 | 1155 | 50 | None | 3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1755 | 1155 | 50 | None | 3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| DB00872 | 1155 | 50 | None | 3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 10615 | 570 | 32 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1021/acs.jmedchem.1c00863 | ||
| 46200932 | 570 | 32 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL4297183 | 570 | 32 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1021/acs.jmedchem.1c00863 | ||
| DB14823 | 570 | 32 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1021/acs.jmedchem.1c00863 | ||
| 10615 | 570 | 32 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127417 | ||
| 46200932 | 570 | 32 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4297183 | 570 | 32 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127417 | ||
| DB14823 | 570 | 32 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127417 | ||
| 56672570 | 66031 | 0 | None | 9 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 438 | 2 | 0 | 7 | 3.8 | COC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837038 | 66031 | 0 | None | 9 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 438 | 2 | 0 | 7 | 3.8 | COC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| 162660856 | 181845 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 379 | 2 | 0 | 5 | 4.2 | Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4778839 | 181845 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 379 | 2 | 0 | 5 | 4.2 | Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 162672471 | 183017 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 384 | 1 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCN(C)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4794001 | 183017 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 384 | 1 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCN(C)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 11237434 | 66030 | 10 | None | 102 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL1837037 | 66030 | 10 | None | 102 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||
| 25132999 | 154879 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 572 | 5 | 2 | 5 | 6.0 | COc1cc(C(=O)N2CC[C@]3(C=C(C4=NCCN4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL400860 | 154879 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 572 | 5 | 2 | 5 | 6.0 | COc1cc(C(=O)N2CC[C@]3(C=C(C4=NCCN4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 11278622 | 66004 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 319 | 3 | 0 | 5 | 3.4 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccccc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837011 | 66004 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 319 | 3 | 0 | 5 | 3.4 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccccc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 21925546 | 66022 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 347 | 2 | 0 | 6 | 3.1 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3COC4)CC2)nc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837029 | 66022 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 347 | 2 | 0 | 6 | 3.1 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3COC4)CC2)nc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 162647523 | 179753 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 428 | 2 | 1 | 4 | 2.7 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)CO)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4744606 | 179753 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 428 | 2 | 1 | 4 | 2.7 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)CO)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162653495 | 180470 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 465 | 3 | 0 | 3 | 4.6 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4753130 | 180470 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 465 | 3 | 0 | 3 | 4.6 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162656299 | 180927 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 474 | 2 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)c3ccccc3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4758331 | 180927 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 474 | 2 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)c3ccccc3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 145963213 | 161457 | 0 | None | 8 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4127791 | 161457 | 0 | None | 8 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 54586172 | 61881 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 485 | 7 | 3 | 3 | 4.2 | O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774024 | 61881 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 485 | 7 | 3 | 3 | 4.2 | O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| 11157078 | 94166 | 7 | None | 2 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249741 | 94166 | 7 | None | 2 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 162643184 | 181654 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 369 | 1 | 1 | 2 | 4.9 | Cc1ccccc1C1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4776471 | 181654 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 369 | 1 | 1 | 2 | 4.9 | Cc1ccccc1C1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 11432362 | 94108 | 0 | None | 1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249340 | 94108 | 0 | None | 1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 135192928 | 174880 | 0 | None | -125 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2C[C@@H]3C[C@]3(c3cccc(F)c3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4564411 | 174880 | 0 | None | -125 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2C[C@@H]3C[C@]3(c3cccc(F)c3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 162651435 | 180181 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 383 | 1 | 0 | 2 | 4.7 | Cc1ccccc1N1CCN(C(=O)N2CCCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4749660 | 180181 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 383 | 1 | 0 | 2 | 4.7 | Cc1ccccc1N1CCN(C(=O)N2CCCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL5085869 | 214973 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | Cc1ccc2c(c1)-n1c(nnc1[C@H]1CC[C@H](Oc3ccccn3)CC1)CC(O)C2 | 10.1021/acs.jmedchem.1c00863 | ||||
| 10461417 | 107274 | 0 | None | 7 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL317243 | 107274 | 0 | None | 7 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44336379 | 107390 | 0 | None | 6 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 582 | 8 | 2 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL318083 | 107390 | 0 | None | 6 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 582 | 8 | 2 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 10345610 | 66034 | 0 | None | 204 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 422 | 2 | 0 | 6 | 3.6 | CC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837040 | 66034 | 0 | None | 204 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 422 | 2 | 0 | 6 | 3.6 | CC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| 162648022 | 179950 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 479 | 3 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4746818 | 179950 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 479 | 3 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162658817 | 180967 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 370 | 1 | 1 | 3 | 3.5 | Cc1ccccc1N1CCN(C(=O)N2CNCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4758799 | 180967 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 370 | 1 | 1 | 3 | 3.5 | Cc1ccccc1N1CCN(C(=O)N2CNCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162671049 | 182796 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 703 | 11 | 1 | 6 | 5.6 | C[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4790970 | 182796 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 703 | 11 | 1 | 6 | 5.6 | C[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2020.127416 | ||
| 46890707 | 6695 | 0 | None | 20 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 419 | 3 | 0 | 3 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1csc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083703 | 6695 | 0 | None | 20 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 419 | 3 | 0 | 3 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1csc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 145962220 | 161553 | 0 | None | -128 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4129142 | 161553 | 0 | None | -128 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 11961325 | 66027 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 346 | 2 | 1 | 6 | 2.7 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3CNC4)CC2)nc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837034 | 66027 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 346 | 2 | 1 | 6 | 2.7 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3CNC4)CC2)nc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 14306032 | 151483 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 568 | 9 | 0 | 7 | 4.3 | CC1(C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 | 10.1016/j.ejmech.2010.09.035 | ||
| CHEMBL396270 | 151483 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 568 | 9 | 0 | 7 | 4.3 | CC1(C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 | 10.1016/j.ejmech.2010.09.035 | ||
| 44444762 | 154705 | 0 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL399888 | 154705 | 0 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 54582950 | 63007 | 0 | None | -1 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL1788220 | 63007 | 0 | None | -1 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 162674253 | 183201 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 371 | 1 | 1 | 4 | 3.2 | Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4796133 | 183201 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 371 | 1 | 1 | 4 | 3.2 | Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 44352768 | 115230 | 0 | None | -47 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL334777 | 115230 | 0 | None | -47 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 137212776 | 137908 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 532 | 10 | 3 | 8 | 4.6 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763823 | 137908 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 532 | 10 | 3 | 8 | 4.6 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2015.11.050 | ||
| 137212776 | 137908 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 532 | 10 | 3 | 8 | 4.6 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL3763823 | 137908 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 532 | 10 | 3 | 8 | 4.6 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| 135192948 | 175591 | 0 | None | -5 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 499 | 7 | 0 | 8 | 3.9 | COc1ccc(-n2c(COC3CCOCC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4580413 | 175591 | 0 | None | -5 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 499 | 7 | 0 | 8 | 3.9 | COc1ccc(-n2c(COC3CCOCC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 216237 | 3814 | 89 | None | -41 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | ||
| 2226 | 3814 | 89 | None | -41 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | ||
| 4110 | 3814 | 89 | None | -41 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL344159 | 3814 | 89 | None | -41 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | ||
| 23598598 | 4935 | 0 | None | -1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL104839 | 4935 | 0 | None | -1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 44336636 | 164141 | 0 | None | 7 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 585 | 7 | 3 | 4 | 6.0 | O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL421039 | 164141 | 0 | None | 7 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 585 | 7 | 3 | 4 | 6.0 | O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 145970269 | 163558 | 0 | None | 15 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 475 | 5 | 3 | 6 | 2.5 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=O)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4203314 | 163558 | 0 | None | 15 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 475 | 5 | 3 | 6 | 2.5 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=O)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 162663957 | 182129 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 412 | 1 | 0 | 3 | 3.7 | CC(=O)N1Cc2cc(Cl)ccc2N(C(=O)N2CCN(c3ccccc3C)CC2)C1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4782389 | 182129 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 412 | 1 | 0 | 3 | 3.7 | CC(=O)N1Cc2cc(Cl)ccc2N(C(=O)N2CCN(c3ccccc3C)CC2)C1 | 10.1016/j.bmcl.2020.127416 | ||
| 11238362 | 168884 | 0 | None | 5 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 562 | 6 | 2 | 4 | 6.5 | CCOc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL438523 | 168884 | 0 | None | 5 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 562 | 6 | 2 | 4 | 6.5 | CCOc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 162670083 | 182725 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 380 | 2 | 0 | 5 | 5.2 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3C3CC43)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4790066 | 182725 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 380 | 2 | 0 | 5 | 5.2 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3C3CC43)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| 21064021 | 66025 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 381 | 2 | 0 | 6 | 3.7 | Clc1ccc2c(c1)-n1c(nnc1C1CCN(c3ccccn3)CC1)COC2 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837032 | 66025 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 381 | 2 | 0 | 6 | 3.7 | Clc1ccc2c(c1)-n1c(nnc1C1CCN(c3ccccn3)CC1)COC2 | 10.1016/j.bmcl.2011.08.038 | ||
| 54584254 | 61880 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 459 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774023 | 61880 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 459 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.02.096 | ||
| 162676406 | 183396 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 405 | 1 | 0 | 4 | 3.6 | CN1CCN(C(=O)N2CCN(c3ncccc3Cl)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4798542 | 183396 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 405 | 1 | 0 | 4 | 3.6 | CN1CCN(C(=O)N2CCN(c3ncccc3Cl)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| 56672568 | 66009 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 3 | 0 | 5 | 4.4 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837016 | 66009 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 3 | 0 | 5 | 4.4 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 10444 | 2312 | 14 | None | -61 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 139030525 | 2312 | 14 | None | -61 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145711714 | 2312 | 14 | None | -61 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204210 | 2312 | 14 | None | -61 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 11237434 | 66030 | 10 | None | 102 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837037 | 66030 | 10 | None | 102 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| 56679250 | 66018 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 431 | 6 | 0 | 7 | 2.9 | CN1CCN(Cc2nnc(C3CCN(c4ccccn4)CC3)n2Cc2ccccc2)CC1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837025 | 66018 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 431 | 6 | 0 | 7 | 2.9 | CN1CCN(Cc2nnc(C3CCN(c4ccccn4)CC3)n2Cc2ccccc2)CC1 | 10.1016/j.bmcl.2011.08.038 | ||
| 135506374 | 137875 | 23 | None | -1 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763342 | 137875 | 23 | None | -1 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| 135506374 | 137875 | 23 | None | -1 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL3763342 | 137875 | 23 | None | -1 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2017.10.059 | ||
| 25132666 | 94500 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 572 | 5 | 2 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@]3(C=C(c4nnn[nH]4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL251715 | 94500 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 572 | 5 | 2 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@]3(C=C(c4nnn[nH]4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 23598642 | 154780 | 0 | None | 2 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 541 | 6 | 2 | 3 | 7.1 | CNCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL400267 | 154780 | 0 | None | 2 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 541 | 6 | 2 | 3 | 7.1 | CNCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 162645988 | 179668 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 380 | 2 | 0 | 5 | 5.2 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3[C@H]3C[C@@H]43)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4743652 | 179668 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 380 | 2 | 0 | 5 | 5.2 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3[C@H]3C[C@@H]43)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| 11157078 | 94166 | 7 | None | -46 | 4 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249741 | 94166 | 7 | None | -46 | 4 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 44336404 | 110932 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 568 | 7 | 2 | 4 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL326225 | 110932 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 568 | 7 | 2 | 4 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 162646537 | 179581 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 357 | 1 | 1 | 4 | 2.9 | O=C(N1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4742334 | 179581 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 357 | 1 | 1 | 4 | 2.9 | O=C(N1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| 135506374 | 137875 | 23 | None | -1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 137875 | 23 | None | -1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 162664620 | 182123 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.5 | Clc1ccc2c(c1)CCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4782340 | 182123 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.5 | Clc1ccc2c(c1)CCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 11461755 | 66007 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 333 | 3 | 0 | 5 | 3.7 | Cc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837014 | 66007 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 333 | 3 | 0 | 5 | 3.7 | Cc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 23598598 | 4935 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL104839 | 4935 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 9871426 | 116985 | 0 | None | -44 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL338901 | 116985 | 0 | None | -44 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 162645370 | 179570 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 385 | 1 | 1 | 4 | 3.6 | Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)[C@H](C)C1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4742173 | 179570 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 385 | 1 | 1 | 4 | 3.6 | Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)[C@H](C)C1 | 10.1016/j.bmcl.2020.127416 | ||
| 135192979 | 175814 | 0 | None | -41 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 485 | 7 | 0 | 8 | 3.5 | COc1ccc(-n2c(CO[C@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4585239 | 175814 | 0 | None | -41 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 485 | 7 | 0 | 8 | 3.5 | COc1ccc(-n2c(CO[C@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 137189941 | 138053 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 560 | 12 | 1 | 8 | 5.2 | COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3765689 | 138053 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 560 | 12 | 1 | 8 | 5.2 | COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| 135193003 | 175360 | 0 | None | -3 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 424 | 5 | 0 | 7 | 3.3 | COc1ccc(-n2c(CC#N)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4575160 | 175360 | 0 | None | -3 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 424 | 5 | 0 | 7 | 3.3 | COc1ccc(-n2c(CC#N)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 9937535 | 63008 | 1 | None | 25 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL1788221 | 63008 | 1 | None | 25 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44336768 | 163328 | 0 | None | 1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 599 | 7 | 3 | 4 | 6.1 | O=C(O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL419183 | 163328 | 0 | None | 1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 599 | 7 | 3 | 4 | 6.1 | O=C(O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44444760 | 154595 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL399288 | 154595 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 145960494 | 161537 | 0 | None | -72 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 1081 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4128839 | 161537 | 0 | None | -72 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 1081 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 135413563 | 122904 | 25 | None | 3 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL360648 | 122904 | 25 | None | 3 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 162667594 | 182503 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 370 | 1 | 1 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4787242 | 182503 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 370 | 1 | 1 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 31112441 | 180314 | 1 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 439 | 4 | 1 | 4 | 4.9 | Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4751260 | 180314 | 1 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 439 | 4 | 1 | 4 | 4.9 | Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 142391767 | 169618 | 0 | None | -6 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 442 | 5 | 0 | 7 | 3.7 | COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc2c(c1)OCO2 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4437214 | 169618 | 0 | None | -6 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 442 | 5 | 0 | 7 | 3.7 | COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc2c(c1)OCO2 | 10.1021/acsmedchemlett.9b00186 | ||
| 135192997 | 173806 | 0 | None | -18 | 4 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 461 | 8 | 0 | 7 | 3.7 | COc1ccc(-n2c(COCCF)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4538696 | 173806 | 0 | None | -18 | 4 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 461 | 8 | 0 | 7 | 3.7 | COc1ccc(-n2c(COCCF)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 137212770 | 138029 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 532 | 10 | 1 | 8 | 4.4 | COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3765356 | 138029 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 532 | 10 | 1 | 8 | 4.4 | COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| 10383074 | 66012 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 347 | 4 | 0 | 5 | 3.7 | Cc1cccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)c1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837019 | 66012 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 347 | 4 | 0 | 5 | 3.7 | Cc1cccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)c1 | 10.1016/j.bmcl.2011.08.038 | ||
| 162675154 | 183400 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 370 | 2 | 1 | 3 | 3.5 | O=C(N1CCN(Cc2ccccc2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4798616 | 183400 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 370 | 2 | 1 | 3 | 3.5 | O=C(N1CCN(Cc2ccccc2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| 162658968 | 181258 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 384 | 1 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CN(C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4762200 | 181258 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 384 | 1 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CN(C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162676890 | 183466 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 355 | 1 | 0 | 2 | 4.0 | Cc1ccccc1N1CCN(C(=O)N2CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4799501 | 183466 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 355 | 1 | 0 | 2 | 4.0 | Cc1ccccc1N1CCN(C(=O)N2CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 11261339 | 154596 | 0 | None | 2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CCC3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL399289 | 154596 | 0 | None | 2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CCC3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 11451056 | 66010 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 353 | 3 | 0 | 5 | 4.0 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837017 | 66010 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 353 | 3 | 0 | 5 | 4.0 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.08.038 | ||
| 145974527 | 164736 | 0 | None | 67 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 5 | 3 | 6 | 3.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4217872 | 164736 | 0 | None | 67 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 5 | 3 | 6 | 3.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 23598641 | 94248 | 0 | None | 6 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 528 | 5 | 2 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=C(CO)CC3)Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL250346 | 94248 | 0 | None | 6 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 528 | 5 | 2 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=C(CO)CC3)Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.059 | ||
| 21925559 | 66026 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 381 | 2 | 0 | 6 | 3.7 | Clc1cccc2c1COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837033 | 66026 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 381 | 2 | 0 | 6 | 3.7 | Clc1cccc2c1COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | ||
| 145972114 | 164603 | 0 | None | 3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 515 | 4 | 2 | 6 | 3.4 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4216174 | 164603 | 0 | None | 3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 515 | 4 | 2 | 6 | 3.4 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 25133001 | 94469 | 0 | None | 7 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 570 | 5 | 2 | 4 | 6.9 | COc1cc(C(=O)N2CC[C@]3(C=C(c4ncc[nH]4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL251561 | 94469 | 0 | None | 7 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 570 | 5 | 2 | 4 | 6.9 | COc1cc(C(=O)N2CC[C@]3(C=C(c4ncc[nH]4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 44336402 | 168107 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 594 | 7 | 2 | 4 | 6.0 | O=C(NCCN1CCCCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL432973 | 168107 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 594 | 7 | 2 | 4 | 6.0 | O=C(NCCN1CCCCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44336791 | 8092 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 527 | 6 | 3 | 4 | 4.5 | O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL109166 | 8092 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 527 | 6 | 3 | 4 | 4.5 | O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 42645362 | 194891 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 1128 | 20 | 13 | 14 | -2.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL541246 | 194891 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 1128 | 20 | 13 | 14 | -2.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||
| 45270786 | 195867 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 1168 | 18 | 12 | 13 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(c2ccccc2)c2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL558950 | 195867 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 1168 | 18 | 12 | 13 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(c2ccccc2)c2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/j.ejmech.2008.12.010 | ||
| 45267363 | 195494 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 1107 | 17 | 12 | 14 | -1.2 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL553710 | 195494 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 1107 | 17 | 12 | 14 | -1.2 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/j.ejmech.2008.12.010 | ||
| 42645836 | 194783 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 1128 | 20 | 13 | 14 | -2.2 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL538934 | 194783 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 1128 | 20 | 13 | 14 | -2.2 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||
| 46225081 | 202206 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 431 | 7 | 0 | 8 | 3.1 | COCc1nnc(N2CC[C@@H](Oc3cc(F)cc(F)c3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL609848 | 202206 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 431 | 7 | 0 | 8 | 3.1 | COCc1nnc(N2CC[C@@H](Oc3cc(F)cc(F)c3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 53316694 | 56736 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 513 | 11 | 1 | 6 | 5.7 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC(C)C)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643585 | 56736 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 513 | 11 | 1 | 6 | 5.7 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC(C)C)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 44571530 | 179892 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 379 | 7 | 0 | 3 | 4.7 | COc1ccc(C)cc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL474609 | 179892 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 379 | 7 | 0 | 3 | 4.7 | COc1ccc(C)cc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 46884414 | 7806 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 334 | 4 | 0 | 5 | 3.1 | COc1ccc(N(C)C(=O)c2cnc(-c3ccccc3C)cn2)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1089682 | 7806 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 334 | 4 | 0 | 5 | 3.1 | COc1ccc(N(C)C(=O)c2cnc(-c3ccccc3C)cn2)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| 11538526 | 199550 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 397 | 5 | 0 | 7 | 3.5 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccc(F)cc3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592494 | 199550 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 397 | 5 | 0 | 7 | 3.5 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccc(F)cc3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 11683187 | 199909 | 44 | None | - | 2 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL594828 | 199909 | 44 | None | - | 2 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 44571387 | 184040 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 401 | 7 | 0 | 3 | 5.2 | COc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL482321 | 184040 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 401 | 7 | 0 | 3 | 5.2 | COc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 46884479 | 8229 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 403 | 7 | 0 | 7 | 3.0 | COCCN(C(=O)c1cnc(-c2ccc(C#N)cc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1092457 | 8229 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 403 | 7 | 0 | 7 | 3.0 | COCCN(C(=O)c1cnc(-c2ccc(C#N)cc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 44577939 | 189166 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 406 | 6 | 0 | 8 | 3.4 | COCc1nnc(-c2cnc(-c3ccc(F)c(C)c3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL511265 | 189166 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 406 | 6 | 0 | 8 | 3.4 | COCc1nnc(-c2cnc(-c3ccc(F)c(C)c3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 46225023 | 199520 | 1 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 365 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592250 | 199520 | 1 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 365 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46881861 | 8240 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 345 | 4 | 0 | 4 | 2.9 | COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL1092499 | 8240 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 345 | 4 | 0 | 4 | 2.9 | COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| 11384094 | 178559 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 402 | 6 | 0 | 8 | 3.6 | COCc1nnc(-c2cnc(-c3cccc(C)c3C)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467186 | 178559 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 402 | 6 | 0 | 8 | 3.6 | COCc1nnc(-c2cnc(-c3cccc(C)c3C)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 46225117 | 199270 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 401 | 7 | 0 | 8 | 2.7 | COCc1nnc(N2CC(Oc3ccccc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL590349 | 199270 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 401 | 7 | 0 | 8 | 2.7 | COCc1nnc(N2CC(Oc3ccccc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 44581242 | 175863 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 475 | 8 | 0 | 6 | 4.9 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL458635 | 175863 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 475 | 8 | 0 | 6 | 4.9 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44571488 | 183798 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 396 | 6 | 0 | 3 | 5.0 | N#Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL480584 | 183798 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 396 | 6 | 0 | 3 | 5.0 | N#Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44571490 | 183922 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 415 | 7 | 0 | 3 | 5.5 | COc1ccc(C)cc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL481568 | 183922 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 415 | 7 | 0 | 3 | 5.5 | COc1ccc(C)cc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 46225118 | 201029 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)ccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL602641 | 201029 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)ccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 11486351 | 192953 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 398 | 10 | 0 | 8 | 3.2 | CCOc1ccc(-c2nnc(COCCOC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL522255 | 192953 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 398 | 10 | 0 | 8 | 3.2 | CCOc1ccc(-c2nnc(COCCOC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| 46225048 | 201790 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 415 | 5 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3cc(F)cc(F)c3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL606976 | 201790 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 415 | 5 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3cc(F)cc(F)c3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46225049 | 201121 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 351 | 5 | 0 | 7 | 2.6 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL603205 | 201121 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 351 | 5 | 0 | 7 | 2.6 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46225116 | 199230 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 371 | 5 | 0 | 7 | 2.9 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3Cl)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL590099 | 199230 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 371 | 5 | 0 | 7 | 2.9 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3Cl)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 44572048 | 189490 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(-c2ccccc2)ccc1C(=O)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL514031 | 189490 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(-c2ccccc2)ccc1C(=O)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 53317994 | 56737 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 513 | 11 | 0 | 6 | 5.8 | CCN(CC)Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643586 | 56737 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 513 | 11 | 0 | 6 | 5.8 | CCN(CC)Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53323297 | 56739 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 499 | 11 | 1 | 6 | 5.5 | CCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643588 | 56739 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 499 | 11 | 1 | 6 | 5.5 | CCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 44571386 | 184042 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 403 | 6 | 0 | 2 | 5.6 | Cc1cc(F)ccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL482323 | 184042 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 403 | 6 | 0 | 2 | 5.6 | Cc1cc(F)ccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 46884440 | 8372 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 352 | 4 | 0 | 5 | 3.3 | COc1ccc(N(C)C(=O)c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1093366 | 8372 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 352 | 4 | 0 | 5 | 3.3 | COc1ccc(N(C)C(=O)c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| 44577982 | 178614 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 378 | 4 | 0 | 7 | 3.8 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccccc3Cl)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467545 | 178614 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 378 | 4 | 0 | 7 | 3.8 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccccc3Cl)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | ||
| 11625088 | 199549 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 379 | 5 | 0 | 7 | 3.3 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592493 | 199549 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 379 | 5 | 0 | 7 | 3.3 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 44579442 | 186804 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 391 | 7 | 0 | 9 | 2.7 | CCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL489387 | 186804 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 391 | 7 | 0 | 9 | 2.7 | CCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| 46884437 | 7707 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 348 | 5 | 0 | 5 | 3.5 | CCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1089025 | 7707 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 348 | 5 | 0 | 5 | 3.5 | CCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 16062053 | 194816 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 360 | 5 | 0 | 8 | 3.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL539665 | 194816 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 360 | 5 | 0 | 8 | 3.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 11502419 | 199551 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 409 | 7 | 0 | 8 | 3.2 | COCc1nnc(N2CCC(Oc3ccccc3C)CC2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592495 | 199551 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 409 | 7 | 0 | 8 | 3.2 | COCc1nnc(N2CCC(Oc3ccccc3C)CC2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 11574636 | 199087 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 389 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL589125 | 199087 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 389 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| 44577984 | 189251 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 418 | 7 | 0 | 9 | 3.3 | COCc1nnc(-c2cnc(-c3ccc(OC)c(C)c3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL511917 | 189251 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 418 | 7 | 0 | 9 | 3.3 | COCc1nnc(-c2cnc(-c3ccc(OC)c(C)c3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 11574636 | 199087 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 389 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL589125 | 199087 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 389 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 44581241 | 175862 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 495 | 8 | 0 | 6 | 5.2 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3Cl)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL458634 | 175862 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 495 | 8 | 0 | 6 | 5.2 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3Cl)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44571491 | 183923 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 367 | 6 | 0 | 2 | 4.8 | Cc1cc(F)ccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL481569 | 183923 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 367 | 6 | 0 | 2 | 4.8 | Cc1cc(F)ccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 50941635 | 56735 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 513 | 12 | 1 | 6 | 5.8 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643584 | 56735 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 513 | 12 | 1 | 6 | 5.8 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 46225079 | 199229 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 395 | 7 | 0 | 8 | 2.8 | COCc1nnc(N2CC[C@@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL590097 | 199229 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 395 | 7 | 0 | 8 | 2.8 | COCc1nnc(N2CC[C@@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 44577937 | 178558 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 402 | 7 | 0 | 7 | 4.2 | COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467185 | 178558 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 402 | 7 | 0 | 7 | 4.2 | COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 44215484 | 178556 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 440 | 7 | 0 | 6 | 4.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCN1CCOCC1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467154 | 178556 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 440 | 7 | 0 | 6 | 4.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCN1CCOCC1 | 10.1016/j.bmcl.2008.06.098 | ||
| 44579441 | 186803 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 374 | 7 | 0 | 7 | 3.5 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1Cl | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL489386 | 186803 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 374 | 7 | 0 | 7 | 3.5 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1Cl | 10.1016/j.bmcl.2008.08.066 | ||
| 44572107 | 179906 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 385 | 6 | 0 | 2 | 5.5 | Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL474621 | 179906 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 385 | 6 | 0 | 2 | 5.5 | Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44571429 | 183791 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 5.6 | O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL480546 | 183791 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 5.6 | O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 53323298 | 56740 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 553 | 11 | 1 | 6 | 6.6 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC4CCCCC4)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643589 | 56740 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 553 | 11 | 1 | 6 | 6.6 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC4CCCCC4)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 44577981 | 189267 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 369 | 5 | 0 | 8 | 2.8 | COCc1nnc(-c2cnc(-c3cccc(C#N)c3)cn2)n1-c1cccnc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL512105 | 189267 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 369 | 5 | 0 | 8 | 2.8 | COCc1nnc(-c2cnc(-c3cccc(C#N)c3)cn2)n1-c1cccnc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 46884439 | 8371 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 378 | 7 | 0 | 6 | 3.1 | COCCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1093365 | 8371 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 378 | 7 | 0 | 6 | 3.1 | COCCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 44579401 | 187073 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 354 | 7 | 0 | 7 | 3.2 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL491422 | 187073 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 354 | 7 | 0 | 7 | 3.2 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| 11257380 | 178590 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL467378 | 178590 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 11257380 | 178590 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL467378 | 178590 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 11257380 | 178590 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467378 | 178590 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | ||
| 44572105 | 172423 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 336 | 6 | 0 | 3 | 3.8 | O=C(c1ccc(-c2ccccc2)nc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL447916 | 172423 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 336 | 6 | 0 | 3 | 3.8 | O=C(c1ccc(-c2ccccc2)nc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44572047 | 180683 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 360 | 6 | 0 | 3 | 4.3 | N#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL475561 | 180683 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 360 | 6 | 0 | 3 | 4.3 | N#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44571529 | 189676 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 4.8 | O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL515447 | 189676 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 4.8 | O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 53324622 | 56742 | 0 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 577 | 12 | 1 | 7 | 6.3 | COc1ccc(CNCc2ccc(-c3nc(CN(C4CCCC4)S(=O)(=O)c4ccc(OC)cc4)cs3)cc2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643591 | 56742 | 0 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 577 | 12 | 1 | 7 | 6.3 | COc1ccc(CNCc2ccc(-c3nc(CN(C4CCCC4)S(=O)(=O)c4ccc(OC)cc4)cs3)cc2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 11475469 | 178770 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 413 | 6 | 0 | 9 | 3.1 | COCc1nnc(-c2cnc(-c3ccc(C#N)cc3C)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL469005 | 178770 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 413 | 6 | 0 | 9 | 3.1 | COCc1nnc(-c2cnc(-c3ccc(C#N)cc3C)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 44578010 | 189155 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 402 | 6 | 0 | 8 | 3.6 | COCc1nnc(-c2cnc(-c3ccc(C)c(C)c3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL511215 | 189155 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 402 | 6 | 0 | 8 | 3.6 | COCc1nnc(-c2cnc(-c3ccc(C)c(C)c3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 44577938 | 189282 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 374 | 6 | 0 | 8 | 2.9 | COCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL512257 | 189282 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 374 | 6 | 0 | 8 | 2.9 | COCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 44581266 | 175371 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3F)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL457544 | 175371 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3F)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44581240 | 189700 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 486 | 8 | 0 | 7 | 4.4 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C#N)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL515660 | 189700 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 486 | 8 | 0 | 7 | 4.4 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C#N)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44571388 | 192565 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 385 | 6 | 0 | 2 | 5.5 | Cc1cc(-c2ccccc2)ccc1C(=O)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL521444 | 192565 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 385 | 6 | 0 | 2 | 5.5 | Cc1cc(-c2ccccc2)ccc1C(=O)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44571489 | 192260 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 372 | 6 | 0 | 3 | 4.6 | O=C(c1ccc(-c2ccccc2)nc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL520595 | 192260 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 372 | 6 | 0 | 3 | 4.6 | O=C(c1ccc(-c2ccccc2)nc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 46225082 | 199592 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 395 | 7 | 0 | 8 | 2.8 | COCc1nnc(N2CC[C@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592733 | 199592 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 395 | 7 | 0 | 8 | 2.8 | COCc1nnc(N2CC[C@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 16062053 | 194816 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 360 | 5 | 0 | 8 | 3.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL539665 | 194816 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 360 | 5 | 0 | 8 | 3.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 44577936 | 178557 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 371 | 5 | 0 | 5 | 4.9 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467184 | 178557 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 371 | 5 | 0 | 5 | 4.9 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 45483204 | 197864 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1204126 | 197864 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1204403 | 197864 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL572709 | 197864 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.11.061 | ||
| 2202 | 2741 | 33 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.11.061 | ||
| 9895468 | 2741 | 33 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL582857 | 2741 | 33 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.11.061 | ||
| DB12643 | 2741 | 33 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.11.061 | ||
| 46225080 | 199591 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 413 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC[C@@H](Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592732 | 199591 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 413 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC[C@@H](Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46884480 | 8230 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 366 | 5 | 0 | 5 | 3.7 | CCN(C(=O)c1cnc(-c2cccc(F)c2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1092458 | 8230 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 366 | 5 | 0 | 5 | 3.7 | CCN(C(=O)c1cnc(-c2cccc(F)c2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 44579399 | 187138 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 368 | 8 | 0 | 7 | 3.6 | CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL492029 | 187138 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 368 | 8 | 0 | 7 | 3.6 | CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.08.066 | ||
| 11667812 | 199864 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL594591 | 199864 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 11667812 | 199864 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL594591 | 199864 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| 53325929 | 56741 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 537 | 11 | 1 | 7 | 5.8 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCc4ccoc4)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643590 | 56741 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 537 | 11 | 1 | 7 | 5.8 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCc4ccoc4)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 46225153 | 199088 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 399 | 7 | 0 | 8 | 2.5 | COCc1nnc(N2CC(Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL589128 | 199088 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 399 | 7 | 0 | 8 | 2.5 | COCc1nnc(N2CC(Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46884478 | 8458 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 373 | 5 | 0 | 6 | 3.4 | CCN(C(=O)c1cnc(-c2ccc(C#N)cc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1094002 | 8458 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 373 | 5 | 0 | 6 | 3.4 | CCN(C(=O)c1cnc(-c2ccc(C#N)cc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 11848692 | 178506 | 1 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 396 | 4 | 0 | 7 | 3.9 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3cccc(F)c3Cl)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL466762 | 178506 | 1 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 396 | 4 | 0 | 7 | 3.9 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3cccc(F)c3Cl)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | ||
| 46225050 | 199590 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 365 | 5 | 0 | 7 | 2.9 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592731 | 199590 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 365 | 5 | 0 | 7 | 2.9 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46881862 | 7906 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 3.2 | COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL1090417 | 7906 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 3.2 | COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| 42611262 | 180535 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL475395 | 180535 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44571389 | 184041 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 5.6 | O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL482322 | 184041 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 5.6 | O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44572045 | 189627 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 365 | 7 | 0 | 3 | 4.4 | COc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL515111 | 189627 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 365 | 7 | 0 | 3 | 4.4 | COc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44571492 | 183944 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 4.8 | O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL481730 | 183944 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 4.8 | O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 53316695 | 56738 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 527 | 10 | 1 | 6 | 6.1 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC(C)(C)C)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643587 | 56738 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 527 | 10 | 1 | 6 | 6.1 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC(C)(C)C)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 46225051 | 199413 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 383 | 5 | 0 | 7 | 3.1 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL591310 | 199413 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 383 | 5 | 0 | 7 | 3.1 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 2042 | 2962 | 58 | None | -3 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 2174 | 2962 | 58 | None | -3 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 2176 | 2962 | 58 | None | -3 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 439302 | 2962 | 58 | None | -3 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| CHEMBL395429 | 2962 | 58 | None | -3 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| DB00107 | 2962 | 58 | None | -3 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 11169 | 794 | 37 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 131676677 | 794 | 37 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 16681432 | 794 | 37 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 495 | 794 | 37 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| CHEMBL3301668 | 794 | 37 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| DB01282 | 794 | 37 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 11454 | 3551 | 11 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21411496 | ||||
| 53330936 | 3551 | 11 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21411496 | ||||
| CHEMBL1817709 | 3551 | 11 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21411496 | ||||
| DB12495 | 3551 | 11 | None | -4 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21411496 | ||||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 16362 | 3103 | 71 | None | - | 30 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2172 | 3103 | 71 | None | - | 30 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 90 | 3103 | 71 | None | - | 30 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1423 | 3103 | 71 | None | - | 30 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01100 | 3103 | 71 | None | - | 30 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3149 | 12582 | 15 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1187011 | 12582 | 15 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 448537 | 160226 | 89 | None | -45 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL411 | 160226 | 89 | None | -45 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 11980903 | 14460 | 19 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 22526 | 14460 | 19 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5281035 | 14460 | 19 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201303 | 14460 | 19 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 1222 | 1651 | 49 | None | - | 33 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3396 | 1651 | 49 | None | - | 33 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 85 | 1651 | 49 | None | - | 33 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL46516 | 1651 | 49 | None | - | 33 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB04842 | 1651 | 49 | None | - | 33 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 72093 | 35031 | 9 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1433361 | 35031 | 9 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2103773 | 35031 | 9 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| 6436173 | 55086 | 45 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1617 | 55086 | 45 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 2713 | 205248 | 82 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5353524 | 205248 | 82 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5360566 | 205248 | 82 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 88536661 | 205248 | 82 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 9552079 | 205248 | 82 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1330113 | 205248 | 82 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL790 | 205248 | 82 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 103 | 4122 | 61 | None | - | 54 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2875 | 4122 | 61 | None | - | 54 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 5736 | 4122 | 61 | None | - | 54 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL285802 | 4122 | 61 | None | - | 54 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB09225 | 4122 | 61 | None | - | 54 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2335 | 11816 | 22 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 8478 | 11816 | 22 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1182210 | 11816 | 22 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL221753 | 11816 | 22 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 41684 | 31191 | 105 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1401 | 31191 | 105 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
| 2213 | 517 | 46 | None | 28 | 5 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 3008 | 517 | 46 | None | 28 | 5 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 5311010 | 517 | 46 | None | 28 | 5 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| CHEMBL382301 | 517 | 46 | None | 28 | 5 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| DB09059 | 517 | 46 | None | 28 | 5 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| CHEMBL2135460 | 209253 | 55 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | None | None | None | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1038/s41467-023-40064-9 | ||||
| 135409453 | 3744 | 41 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 226 | 3744 | 41 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL76370 | 3744 | 41 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 1385580 | 29245 | 76 | None | - | 5 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 4615 | 29245 | 76 | None | - | 5 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL13828 | 29245 | 76 | None | - | 5 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 24826799 | 10766 | 104 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1171837 | 10766 | 104 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | ||
| 242 | 469 | 124 | None | - | 52 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 34 | 469 | 124 | None | - | 52 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 60795 | 469 | 124 | None | - | 52 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1112 | 469 | 124 | None | - | 52 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01238 | 469 | 124 | None | - | 52 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 26248 | 161515 | 102 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 368 | 3 | 1 | 7 | 2.0 | CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL41286 | 161515 | 102 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 368 | 3 | 1 | 7 | 2.0 | CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O | 10.1038/s41467-023-40064-9 | ||
| 135398735 | 136943 | 32 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 136262914 | 136943 | 32 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL374478 | 136943 | 32 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 1549120 | 196463 | 85 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL56337 | 196463 | 85 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 104850 | 3305 | 96 | None | - | 6 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 4150 | 3305 | 96 | None | - | 6 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 743 | 3305 | 96 | None | - | 6 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL111 | 3305 | 96 | None | - | 6 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| DB06155 | 3305 | 96 | None | - | 6 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 54585 | 14470 | 85 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 357 | 7 | 4 | 6 | 2.7 | O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201346 | 14470 | 85 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 357 | 7 | 4 | 6 | 2.7 | O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 30323 | 62455 | 57 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1563 | 62455 | 57 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL178 | 62455 | 57 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| 5328940 | 100188 | 107 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL288441 | 100188 | 107 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
| 392622 | 56282 | 95 | None | -2 | 4 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL163 | 56282 | 95 | None | -2 | 4 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | ||
| 135564886 | 14461 | 5 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 135673376 | 14461 | 5 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 137157436 | 14461 | 5 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 145948239 | 14461 | 5 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 71587099 | 14461 | 5 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201304 | 14461 | 5 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 2194 | 63053 | 101 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL178862 | 63053 | 101 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 118719829 | 115727 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1035 | 23 | 11 | 14 | -1.1 | CCCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3353940 | 115727 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1035 | 23 | 11 | 14 | -1.1 | CCCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 10411308 | 201211 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| CHEMBL603708 | 201211 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| 118719827 | 115725 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1021 | 22 | 11 | 14 | -1.5 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3353938 | 115725 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1021 | 22 | 11 | 14 | -1.5 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 449224 | 168951 | 12 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL439044 | 168951 | 12 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| 2252 | 2218 | 48 | None | -851 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901084f | ||
| 6918320 | 2218 | 48 | None | -851 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901084f | ||
| CHEMBL24781 | 2218 | 48 | None | -851 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901084f | ||
| 11169 | 794 | 37 | None | - | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| 131676677 | 794 | 37 | None | - | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| 16681432 | 794 | 37 | None | - | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| 495 | 794 | 37 | None | - | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| CHEMBL3301668 | 794 | 37 | None | - | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| DB01282 | 794 | 37 | None | - | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| 3537 | 3973 | 22 | None | -9 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| 5311500 | 3973 | 22 | None | -9 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| CHEMBL363910 | 3973 | 22 | None | -9 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| 118720282 | 115828 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1038 | 20 | 11 | 13 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354592 | 115828 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1038 | 20 | 11 | 13 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719821 | 115719 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1005 | 19 | 11 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353932 | 115719 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1005 | 19 | 11 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720275 | 115821 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1004 | 22 | 11 | 13 | -1.8 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354585 | 115821 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1004 | 22 | 11 | 13 | -1.8 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL2370569 | 209848 | 23 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | COc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1016/j.ejmech.2013.01.044 | ||||
| CHEMBL2370569 | 209848 | 23 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | COc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1016/j.bmc.2016.11.014 | ||||
| CHEMBL2370569 | 209848 | 23 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | COc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1016/j.bmc.2016.03.006 | ||||
| 56849411 | 153154 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 609 | 10 | 3 | 8 | 3.3 | NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| CHEMBL3976964 | 153154 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 609 | 10 | 3 | 8 | 3.3 | NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| 72548703 | 161543 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| CHEMBL4128926 | 161543 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| CHEMBL2370569 | 209848 | 23 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | COc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1016/j.bmc.2013.03.016 | ||||
| 44428419 | 152563 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 568 | 9 | 1 | 6 | 5.0 | CC(C)(C)C(O)C(C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL397187 | 152563 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 568 | 9 | 1 | 6 | 5.0 | CC(C)(C)C(O)C(C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 23598598 | 4935 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL104839 | 4935 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 56848626 | 143693 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 557 | 9 | 2 | 7 | 4.2 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)c1ccccc1Cl | nan | ||
| CHEMBL3900528 | 143693 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 557 | 9 | 2 | 7 | 4.2 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)c1ccccc1Cl | nan | ||
| 10527151 | 102146 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm980179c | ||
| CHEMBL302709 | 102146 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm980179c | ||
| 44332181 | 4205 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 451 | 3 | 2 | 3 | 5.8 | Nc1ccc(C(=O)Nc2ccc(C(=O)N3CCC4(C=CCCC4)Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL100402 | 4205 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 451 | 3 | 2 | 3 | 5.8 | Nc1ccc(C(=O)Nc2ccc(C(=O)N3CCC4(C=CCCC4)Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 23598556 | 4334 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 454 | 3 | 1 | 2 | 6.4 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1F | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL101157 | 4334 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 454 | 3 | 1 | 2 | 6.4 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1F | 10.1016/j.bmcl.2004.02.103 | ||
| 44332273 | 169093 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 450 | 3 | 1 | 2 | 6.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL440147 | 169093 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 450 | 3 | 1 | 2 | 6.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 10527151 | 102146 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL302709 | 102146 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| 14969547 | 100888 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.2 | NCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL293905 | 100888 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.2 | NCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 44428417 | 93261 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 586 | 10 | 0 | 6 | 5.5 | O=C(OCc1ccccc1)C(C(=O)c1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL245086 | 93261 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 586 | 10 | 0 | 6 | 5.5 | O=C(OCc1ccccc1)C(C(=O)c1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44293778 | 101593 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 476 | 3 | 1 | 4 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(Cl)ccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL298911 | 101593 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 476 | 3 | 1 | 4 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(Cl)ccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| 23598638 | 93989 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 4 | 2 | 3 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(CO)CC3)Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL248733 | 93989 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 4 | 2 | 3 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(CO)CC3)Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.09.059 | ||
| 44444759 | 154728 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 484 | 4 | 2 | 3 | 5.5 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL400048 | 154728 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 484 | 4 | 2 | 3 | 5.5 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 44428428 | 142523 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 571 | 10 | 1 | 4 | 5.9 | CC(C)C[C@@H](C(=O)NCc1ccccc1Cl)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL389091 | 142523 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 571 | 10 | 1 | 4 | 5.9 | CC(C)C[C@@H](C(=O)NCc1ccccc1Cl)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 10599369 | 114786 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL334082 | 114786 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44433367 | 89818 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL237772 | 89818 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| 44433372 | 89897 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 426 | 5 | 3 | 3 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL237987 | 89897 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 426 | 5 | 3 | 3 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| 44433375 | 90158 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 505 | 7 | 3 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(=O)O)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL238206 | 90158 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 505 | 7 | 3 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(=O)O)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| 44433363 | 146627 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL392363 | 146627 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| 10690528 | 113484 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| CHEMBL332090 | 113484 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| 44213444 | 101887 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 442 | 3 | 1 | 4 | 5.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL300963 | 101887 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 442 | 3 | 1 | 4 | 5.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| 44374802 | 119977 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 442 | 3 | 1 | 3 | 6.1 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL350089 | 119977 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 442 | 3 | 1 | 3 | 6.1 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1 | 10.1016/s0960-894x(00)00084-6 | ||
| 44273355 | 74918 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 587 | 8 | 0 | 6 | 3.9 | CN(C)CCSC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20319 | 74918 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 587 | 8 | 0 | 6 | 3.9 | CN(C)CCSC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL2112655 | 209221 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 14969508 | 100961 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 324 | 2 | 0 | 3 | 2.9 | O=C(c1ccco1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL294293 | 100961 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 324 | 2 | 0 | 3 | 2.9 | O=C(c1ccco1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 14969530 | 199766 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 2.4 | NC(=O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL59397 | 199766 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 2.4 | NC(=O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 10713341 | 12923 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 357 | 3 | 1 | 3 | 3.9 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccnc1 | 10.1021/jm960133o | ||
| CHEMBL118933 | 12923 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 357 | 3 | 1 | 3 | 3.9 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccnc1 | 10.1021/jm960133o | ||
| 9828129 | 116595 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL336825 | 116595 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 44352777 | 21350 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 572 | 7 | 2 | 5 | 6.4 | O=C(Nc1ccc(C(=O)N2CCC(CCS(=O)(=O)O)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL131439 | 21350 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 572 | 7 | 2 | 5 | 6.4 | O=C(Nc1ccc(C(=O)N2CCC(CCS(=O)(=O)O)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| 86690917 | 150387 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 555 | 8 | 2 | 9 | 2.7 | NC(=O)Cn1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl | nan | ||
| CHEMBL3953766 | 150387 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 555 | 8 | 2 | 9 | 2.7 | NC(=O)Cn1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl | nan | ||
| 56848490 | 146727 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 2.9 | NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| CHEMBL3924331 | 146727 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 2.9 | NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| 44332209 | 4290 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 470 | 3 | 1 | 2 | 6.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1Cl | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL100893 | 4290 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 470 | 3 | 1 | 2 | 6.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1Cl | 10.1016/j.bmcl.2004.02.103 | ||
| 22405322 | 71753 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 406 | 4 | 0 | 2 | 6.3 | CCCc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL196737 | 71753 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 406 | 4 | 0 | 2 | 6.3 | CCCc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| 14969554 | 102220 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 10 | 1 | 4 | 4.3 | CC(=O)NCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL303134 | 102220 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 10 | 1 | 4 | 4.3 | CC(=O)NCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 86690931 | 149005 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 543 | 6 | 1 | 7 | 5.1 | O=c1n(Cc2cc(-c3cccc(Cl)c3Cl)ncn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3942564 | 149005 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 543 | 6 | 1 | 7 | 5.1 | O=c1n(Cc2cc(-c3cccc(Cl)c3Cl)ncn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 67412781 | 154248 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 499 | 6 | 1 | 8 | 4.0 | O=c1n(Cc2nnc(-c3ccccc3Cl)o2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3986461 | 154248 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 499 | 6 | 1 | 8 | 4.0 | O=c1n(Cc2nnc(-c3ccccc3Cl)o2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10503858 | 205534 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 453 | 3 | 1 | 3 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(C)c1 | 10.1021/jm980179c | ||
| CHEMBL81133 | 205534 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 453 | 3 | 1 | 3 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(C)c1 | 10.1021/jm980179c | ||
| 21837107 | 203877 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1cc(Cl)ccc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL68948 | 203877 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1cc(Cl)ccc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| 14969514 | 203289 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(Cl)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL64811 | 203289 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(Cl)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 44352302 | 18926 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 6.7 | CN(C)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL128687 | 18926 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 6.7 | CN(C)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 118719845 | 115743 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1047 | 20 | 11 | 15 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353956 | 115743 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1047 | 20 | 11 | 15 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 76073634 | 115830 | 3 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1041 | 20 | 11 | 13 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354594 | 115830 | 3 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1041 | 20 | 11 | 13 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720290 | 115838 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1013 | 20 | 10 | 13 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354602 | 115838 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1013 | 20 | 10 | 13 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 10766187 | 12823 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 455 | 6 | 1 | 3 | 6.1 | CCCN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118863 | 12823 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 455 | 6 | 1 | 3 | 6.1 | CCCN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 10620180 | 113477 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 386 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCOc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL332060 | 113477 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 386 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCOc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 14969509 | 201918 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 348 | 3 | 0 | 2 | 3.2 | O=C(Cc1ccccc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL60773 | 201918 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 348 | 3 | 0 | 2 | 3.2 | O=C(Cc1ccccc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL2112651 | 209219 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 172997 | 2318 | 57 | None | -64 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.08.053 | ||
| 2238 | 2318 | 57 | None | -64 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL49429 | 2318 | 57 | None | -64 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.08.053 | ||
| DB06666 | 2318 | 57 | None | -64 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.08.053 | ||
| 9805201 | 56227 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 480 | 3 | 2 | 4 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)c(Cl)c1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL162748 | 56227 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 480 | 3 | 2 | 4 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)c(Cl)c1 | 10.1016/s0960-894x(00)00084-6 | ||
| 392622 | 56282 | 95 | None | -2 | 4 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | nan | ||
| CHEMBL163 | 56282 | 95 | None | -2 | 4 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | nan | ||
| 44428427 | 161711 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 537 | 10 | 1 | 4 | 5.2 | CC(C)C[C@@H](C(=O)NCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL413711 | 161711 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 537 | 10 | 1 | 4 | 5.2 | CC(C)C[C@@H](C(=O)NCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 56848553 | 145592 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 651 | 9 | 3 | 8 | 5.0 | CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl | nan | ||
| CHEMBL3915616 | 145592 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 651 | 9 | 3 | 8 | 5.0 | CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl | nan | ||
| 11432362 | 94108 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249340 | 94108 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 15298022 | 72011 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 370 | 2 | 0 | 3 | 5.4 | O=C(c1ccc(-c2cccs2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL197616 | 72011 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 370 | 2 | 0 | 3 | 5.4 | O=C(c1ccc(-c2cccs2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| 22861321 | 134314 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 421 | 4 | 0 | 3 | 5.4 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3ccccc3)cc1)C2 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL371721 | 134314 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 421 | 4 | 0 | 3 | 5.4 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3ccccc3)cc1)C2 | 10.1016/j.bmcl.2005.08.007 | ||
| 56848687 | 150457 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 581 | 11 | 2 | 9 | 2.5 | COCCn1c(-c2ccc(Cl)s2)nn(CC(=O)NCC(NS(C)(=O)=O)c2ccccc2C(F)(F)F)c1=O | nan | ||
| CHEMBL3954357 | 150457 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 581 | 11 | 2 | 9 | 2.5 | COCCn1c(-c2ccc(Cl)s2)nn(CC(=O)NCC(NS(C)(=O)=O)c2ccccc2C(F)(F)F)c1=O | nan | ||
| 14969526 | 200751 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 350 | 2 | 1 | 3 | 3.0 | O=C(c1ccc(O)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL60054 | 200751 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 350 | 2 | 1 | 3 | 3.0 | O=C(c1ccc(O)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 14969516 | 201028 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 348 | 2 | 0 | 2 | 3.6 | Cc1cccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)c1 | 10.1021/jm00066a010 | ||
| CHEMBL60262 | 201028 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 348 | 2 | 0 | 2 | 3.6 | Cc1cccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)c1 | 10.1021/jm00066a010 | ||
| 118719822 | 115720 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1017 | 19 | 10 | 14 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](OC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353933 | 115720 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1017 | 19 | 10 | 14 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](OC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719840 | 115738 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccnc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353951 | 115738 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccnc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720262 | 115809 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1048 | 21 | 12 | 15 | -2.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCC2CCCN2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354573 | 115809 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1048 | 21 | 12 | 15 | -2.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCC2CCCN2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720285 | 115832 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1025 | 20 | 10 | 12 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354596 | 115832 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1025 | 20 | 10 | 12 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 2241 | 2206 | 1 | None | -117 | 4 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| 9810632 | 2206 | 1 | None | -117 | 4 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| CHEMBL127686 | 2206 | 1 | None | -117 | 4 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| CHEMBL338018 | 211579 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| CHEMBL405289 | 212531 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10838493 | 13882 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 481 | 4 | 1 | 3 | 6.3 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL119638 | 13882 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 481 | 4 | 1 | 3 | 6.3 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 14981576 | 78841 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 610 | 12 | 1 | 7 | 2.9 | CCN(CC)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1021/jm00031a004 | ||
| CHEMBL2112894 | 78841 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 610 | 12 | 1 | 7 | 2.9 | CCN(CC)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1021/jm00031a004 | ||
| 44273473 | 72755 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 542 | 5 | 0 | 6 | 3.2 | CC(=O)OC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20002 | 72755 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 542 | 5 | 0 | 6 | 3.2 | CC(=O)OC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 44273259 | 73491 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 557 | 7 | 1 | 6 | 2.5 | CN(CCO)C1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20171 | 73491 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 557 | 7 | 1 | 6 | 2.5 | CN(CCO)C1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 56848684 | 148388 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 9 | 2 | 7 | 3.9 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CCC(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| CHEMBL3937650 | 148388 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 9 | 2 | 7 | 3.9 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CCC(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| 44352804 | 18927 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL128688 | 18927 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 10715974 | 11890 | 0 | None | - | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL118271 | 11890 | 0 | None | - | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44332238 | 107368 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 464 | 3 | 1 | 2 | 6.9 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC4(C=CCCC4)Cc4ccccc43)cc2)cc1C | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL317919 | 107368 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 464 | 3 | 1 | 2 | 6.9 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC4(C=CCCC4)Cc4ccccc43)cc2)cc1C | 10.1016/j.bmcl.2004.02.103 | ||
| 14969533 | 201444 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 352 | 2 | 0 | 2 | 3.4 | O=C(c1ccc(F)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL60502 | 201444 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 352 | 2 | 0 | 2 | 3.4 | O=C(c1ccc(F)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 14969521 | 203175 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 392 | 3 | 0 | 4 | 3.2 | CC(=O)Oc1ccccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL64332 | 203175 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 392 | 3 | 0 | 4 | 3.2 | CC(=O)Oc1ccccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 118719826 | 115724 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 947 | 19 | 11 | 13 | -3.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353937 | 115724 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 947 | 19 | 11 | 13 | -3.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719836 | 115734 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(C)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353947 | 115734 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(C)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720268 | 115815 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354579 | 115815 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720278 | 115824 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1023 | 20 | 11 | 13 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354588 | 115824 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1023 | 20 | 11 | 13 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 119369 | 2588 | 74 | None | -31 | 8 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm960133o | ||
| 2197 | 2588 | 74 | None | -31 | 8 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm960133o | ||
| 4004 | 2588 | 74 | None | -31 | 8 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm960133o | ||
| CHEMBL420762 | 2588 | 74 | None | -31 | 8 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm960133o | ||
| 10666852 | 113037 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL331164 | 113037 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL1790938 | 208884 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10573075 | 114418 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 400 | 5 | 1 | 3 | 4.9 | CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| CHEMBL333340 | 114418 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 400 | 5 | 1 | 3 | 4.9 | CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| 10766720 | 105423 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 4 | 5.4 | COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc21 | 10.1021/jm980179c | ||
| CHEMBL312036 | 105423 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 4 | 5.4 | COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc21 | 10.1021/jm980179c | ||
| 9826254 | 163285 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL418890 | 163285 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| 23598619 | 94510 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 4 | 1 | 4 | 5.6 | COC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL251771 | 94510 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 4 | 1 | 4 | 5.6 | COC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 9826254 | 163285 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL418890 | 163285 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| 44332226 | 4338 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 4 | 1 | 3 | 7.0 | CSc1ccc(C(=O)Nc2ccc(C(=O)N3CCC4(C=CCCC4)Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL101187 | 4338 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 4 | 1 | 3 | 7.0 | CSc1ccc(C(=O)Nc2ccc(C(=O)N3CCC4(C=CCCC4)Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 172997 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)01059-4 | ||
| 2238 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL49429 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)01059-4 | ||
| DB06666 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)01059-4 | ||
| 172997 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.09.059 | ||
| 2238 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL49429 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.09.059 | ||
| DB06666 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.09.059 | ||
| 15307968 | 103028 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 432 | 3 | 1 | 2 | 6.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL307271 | 103028 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 432 | 3 | 1 | 2 | 6.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 172997 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)00649-2 | ||
| 2238 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL49429 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)00649-2 | ||
| DB06666 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)00649-2 | ||
| 14969524 | 102820 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 350 | 2 | 1 | 3 | 3.0 | O=C(c1ccccc1O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL305588 | 102820 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 350 | 2 | 1 | 3 | 3.0 | O=C(c1ccccc1O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 14969539 | 167937 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 434 | 8 | 0 | 3 | 5.2 | CCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL431723 | 167937 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 434 | 8 | 0 | 3 | 5.2 | CCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 118720261 | 115808 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1035 | 20 | 11 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC2CCCO2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354572 | 115808 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1035 | 20 | 11 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC2CCCO2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 44309805 | 204259 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 434 | 3 | 1 | 3 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Oc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71283 | 204259 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 434 | 3 | 1 | 3 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Oc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 44273369 | 99516 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 500 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL283524 | 99516 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 500 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 23598598 | 4935 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL104839 | 4935 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 10459252 | 52621 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 517 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL159359 | 52621 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 517 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 44332207 | 107235 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 504 | 3 | 1 | 2 | 7.6 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL316958 | 107235 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 504 | 3 | 1 | 2 | 7.6 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2004.02.103 | ||
| 14969553 | 102018 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 4.0 | CC(=O)NCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL301850 | 102018 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 4.0 | CC(=O)NCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 44352767 | 115095 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 528 | 6 | 1 | 3 | 7.8 | O=C(Nc1ccc(C(=O)N2CCC(CC(F)F)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL334363 | 115095 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 528 | 6 | 1 | 3 | 7.8 | O=C(Nc1ccc(C(=O)N2CCC(CC(F)F)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| 44273346 | 162923 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 570 | 8 | 1 | 6 | 2.8 | CN(C)CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL417458 | 162923 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 570 | 8 | 1 | 6 | 2.8 | CN(C)CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 118720280 | 115826 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1007 | 20 | 10 | 12 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354590 | 115826 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1007 | 20 | 10 | 12 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL126765 | 208645 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| CHEMBL419793 | 213218 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 2981363 | 12491 | 7 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | ||
| CHEMBL118660 | 12491 | 7 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | ||
| 10598596 | 12909 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 427 | 5 | 2 | 3 | 5.3 | CCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118922 | 12909 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 427 | 5 | 2 | 3 | 5.3 | CCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 10642000 | 114365 | 9 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1 | 10.1021/jm960133o | ||
| CHEMBL333139 | 114365 | 9 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1 | 10.1021/jm960133o | ||
| 10790546 | 110620 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 470 | 5 | 2 | 4 | 4.9 | CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL325819 | 110620 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 470 | 5 | 2 | 4 | 4.9 | CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 10501216 | 113106 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 | 10.1021/jm960133o | ||
| CHEMBL331424 | 113106 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 | 10.1021/jm960133o | ||
| 118719824 | 115722 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1017 | 19 | 11 | 14 | -3.1 | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](O)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm500365s | ||
| CHEMBL3353935 | 115722 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1017 | 19 | 11 | 14 | -3.1 | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](O)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm500365s | ||
| 86690920 | 145517 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 548 | 6 | 1 | 7 | 5.5 | O=c1n(Cc2cnc(-c3ccccc3C(F)(F)F)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3915055 | 145517 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 548 | 6 | 1 | 7 | 5.5 | O=c1n(Cc2cnc(-c3ccccc3C(F)(F)F)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 56848555 | 151725 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 560 | 9 | 4 | 7 | 2.5 | NC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| CHEMBL3964694 | 151725 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 560 | 9 | 4 | 7 | 2.5 | NC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| 15340668 | 203746 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 3 | 1 | 3 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL68033 | 203746 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 3 | 1 | 3 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 44273368 | 98766 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 584 | 9 | 1 | 6 | 3.2 | CN(C)CCCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL278377 | 98766 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 584 | 9 | 1 | 6 | 3.2 | CN(C)CCCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 53379068 | 142346 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 551 | 7 | 2 | 6 | 5.4 | O=C(O)c1ccc(-c2ccccc2Cl)cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O | nan | ||
| CHEMBL3889504 | 142346 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 551 | 7 | 2 | 6 | 5.4 | O=C(O)c1ccc(-c2ccccc2Cl)cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O | nan | ||
| 10832492 | 114773 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 362 | 3 | 1 | 3 | 4.6 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccsc1 | 10.1021/jm960133o | ||
| CHEMBL334009 | 114773 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 362 | 3 | 1 | 3 | 4.6 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccsc1 | 10.1021/jm960133o | ||
| 19699097 | 119978 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 446 | 3 | 2 | 4 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL350090 | 119978 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 446 | 3 | 2 | 4 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 44374839 | 120143 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cn(C)nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL351587 | 120143 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cn(C)nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 441243 | 9804 | 58 | None | -33 | 8 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | nan | ||
| CHEMBL114 | 9804 | 58 | None | -33 | 8 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | nan | ||
| 9931699 | 75022 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 415 | 2 | 1 | 5 | 5.0 | Cn1ccc(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL203513 | 75022 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 415 | 2 | 1 | 5 | 5.0 | Cn1ccc(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| 56848686 | 144513 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 653 | 9 | 2 | 8 | 6.0 | CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)s2)n(Cc2ccccc2F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| CHEMBL3907257 | 144513 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 653 | 9 | 2 | 8 | 6.0 | CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)s2)n(Cc2ccccc2F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| 23598642 | 154780 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 6 | 2 | 3 | 7.1 | CNCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL400267 | 154780 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 6 | 2 | 3 | 7.1 | CNCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 44352796 | 21444 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 6 | 1 | 3 | 7.5 | O=C(Nc1ccc(C(=O)N2CCC(CCF)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL131566 | 21444 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 6 | 1 | 3 | 7.5 | O=C(Nc1ccc(C(=O)N2CCC(CCF)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| 172997 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2005.08.007 | ||
| 2238 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL49429 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2005.08.007 | ||
| DB06666 | 2318 | 57 | None | -64 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2005.08.007 | ||
| 118719831 | 115729 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1009 | 21 | 11 | 15 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353942 | 115729 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1009 | 21 | 11 | 15 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720269 | 115816 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354580 | 115816 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 10834761 | 114512 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)Cc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL333652 | 114512 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)Cc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44273080 | 98591 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 571 | 7 | 1 | 7 | 2.4 | COC(=O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL277022 | 98591 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 571 | 7 | 1 | 7 | 2.4 | COC(=O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 23598600 | 5335 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 594 | 7 | 2 | 4 | 5.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL106938 | 5335 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 594 | 7 | 2 | 4 | 5.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 69940391 | 148525 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 512 | 7 | 2 | 7 | 3.7 | O=c1n(Cc2nnc(Cc3ccccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3938717 | 148525 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 512 | 7 | 2 | 7 | 3.7 | O=c1n(Cc2nnc(Cc3ccccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 56848556 | 147012 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 579 | 10 | 3 | 7 | 2.9 | O=CNC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL3926829 | 147012 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 579 | 10 | 3 | 7 | 2.9 | O=CNC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| 11261339 | 154596 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CCC3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL399289 | 154596 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CCC3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 44309820 | 204205 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 433 | 3 | 2 | 3 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Nc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL70949 | 204205 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 433 | 3 | 2 | 3 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Nc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 14969510 | 200614 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 334 | 2 | 0 | 2 | 3.3 | O=C(c1ccccc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL59947 | 200614 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 334 | 2 | 0 | 2 | 3.3 | O=C(c1ccccc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 118719834 | 115732 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353945 | 115732 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 10550481 | 12843 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 428 | 4 | 2 | 4 | 4.6 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3N)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118878 | 12843 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 428 | 4 | 2 | 4 | 4.6 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3N)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 10527137 | 12755 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 441 | 4 | 0 | 3 | 5.3 | Cc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL118805 | 12755 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 441 | 4 | 0 | 3 | 5.3 | Cc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 10834036 | 13603 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL119442 | 13603 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44428412 | 143116 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 556 | 9 | 0 | 7 | 4.8 | CC(C)(C)C(=O)C(C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccco1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL389581 | 143116 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 556 | 9 | 0 | 7 | 4.8 | CC(C)(C)C(=O)C(C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccco1 | 10.1016/j.bmc.2006.12.031 | ||
| 54582950 | 63007 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL1788220 | 63007 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44444762 | 154705 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL399888 | 154705 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 18917534 | 204271 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 485 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Br | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71355 | 204271 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 485 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Br | 10.1016/s0960-894x(03)00388-3 | ||
| 44404614 | 165726 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 378 | 2 | 0 | 2 | 5.7 | Cc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL424663 | 165726 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 378 | 2 | 0 | 2 | 5.7 | Cc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| 10003306 | 203750 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| CHEMBL68085 | 203750 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| 44332168 | 4453 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 436 | 3 | 1 | 2 | 6.3 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL101935 | 4453 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 436 | 3 | 1 | 2 | 6.3 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 10003306 | 203750 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL68085 | 203750 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 14969520 | 202684 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 379 | 3 | 0 | 4 | 3.2 | O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL61688 | 202684 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 379 | 3 | 0 | 4 | 3.2 | O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 14969543 | 202725 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 393 | 5 | 1 | 4 | 2.6 | NCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL61947 | 202725 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 393 | 5 | 1 | 4 | 2.6 | NCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 118719830 | 115728 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1033 | 19 | 11 | 14 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353941 | 115728 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1033 | 19 | 11 | 14 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL338294 | 211583 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 19699060 | 56117 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 466 | 3 | 2 | 4 | 5.4 | O=C(Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL162588 | 56117 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 466 | 3 | 2 | 4 | 5.4 | O=C(Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| 44374839 | 120143 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cn(C)nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL351587 | 120143 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cn(C)nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 6734379 | 163686 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 409 | 3 | 1 | 6 | 2.5 | O=C(OCc1ccc2c(c1)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm010878g | ||
| CHEMBL420500 | 163686 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 409 | 3 | 1 | 6 | 2.5 | O=C(OCc1ccc2c(c1)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm010878g | ||
| 44293763 | 101481 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL297990 | 101481 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| 22405324 | 70567 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 442 | 3 | 0 | 4 | 4.8 | Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL194970 | 70567 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 442 | 3 | 0 | 4 | 4.8 | Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| 14969552 | 200804 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 463 | 8 | 1 | 4 | 3.6 | CC(=O)NCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL60096 | 200804 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 463 | 8 | 1 | 4 | 3.6 | CC(=O)NCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 14969536 | 201865 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 378 | 4 | 0 | 3 | 3.7 | CCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL60736 | 201865 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 378 | 4 | 0 | 3 | 3.7 | CCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 118720288 | 115836 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1029 | 20 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354600 | 115836 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1029 | 20 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 19699133 | 119905 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 496 | 3 | 1 | 5 | 5.9 | Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1)CC2 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL349506 | 119905 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 496 | 3 | 1 | 5 | 5.9 | Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1)CC2 | 10.1016/s0960-894x(00)00084-6 | ||
| 19699093 | 120012 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL350383 | 120012 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 14981580 | 78842 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 1.9 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCNCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112895 | 78842 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 1.9 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCNCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 118719839 | 115737 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353950 | 115737 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 10524202 | 13730 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| CHEMBL119534 | 13730 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| 11059058 | 10059 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 429 | 3 | 1 | 7 | 4.1 | O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1021/jm010878g | ||
| CHEMBL115444 | 10059 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 429 | 3 | 1 | 7 | 4.1 | O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1021/jm010878g | ||
| 53378730 | 152919 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 548 | 7 | 1 | 7 | 5.4 | O=c1n(Cc2nnc(Cc3ccccc3C(F)(F)F)[nH]2)nc(-c2ccc(Cl)s2)n1Cc1ccccc1F | nan | ||
| CHEMBL3975038 | 152919 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 548 | 7 | 1 | 7 | 5.4 | O=c1n(Cc2nnc(Cc3ccccc3C(F)(F)F)[nH]2)nc(-c2ccc(Cl)s2)n1Cc1ccccc1F | nan | ||
| 9826254 | 163285 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL418890 | 163285 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| 9826254 | 163285 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL418890 | 163285 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| 9826254 | 163285 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL418890 | 163285 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| 53378840 | 149691 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 532 | 6 | 1 | 7 | 5.3 | O=c1n(Cc2cnc(-c3cccc(Cl)c3Cl)o2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3947893 | 149691 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 532 | 6 | 1 | 7 | 5.3 | O=c1n(Cc2cnc(-c3cccc(Cl)c3Cl)o2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 172997 | 2318 | 57 | None | -64 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| 2238 | 2318 | 57 | None | -64 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| CHEMBL49429 | 2318 | 57 | None | -64 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| DB06666 | 2318 | 57 | None | -64 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| 21467152 | 53127 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL159831 | 53127 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| 172997 | 2318 | 57 | None | -64 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| 2238 | 2318 | 57 | None | -64 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL49429 | 2318 | 57 | None | -64 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| DB06666 | 2318 | 57 | None | -64 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| 172997 | 2318 | 57 | None | -64 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00278-4 | ||
| 2238 | 2318 | 57 | None | -64 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00278-4 | ||
| CHEMBL49429 | 2318 | 57 | None | -64 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00278-4 | ||
| DB06666 | 2318 | 57 | None | -64 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00278-4 | ||
| 10789935 | 11784 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 5.0 | CC(=O)O/N=C1\CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118204 | 11784 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 5.0 | CC(=O)O/N=C1\CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 10620049 | 114079 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 384 | 5 | 1 | 2 | 4.9 | O=C(CCc1ccccc1)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL332757 | 114079 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 384 | 5 | 1 | 2 | 4.9 | O=C(CCc1ccccc1)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 71458039 | 78846 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00031a004 | ||
| CHEMBL2112899 | 78846 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00031a004 | ||
| 44273077 | 99156 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 589 | 7 | 1 | 5 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](NCc3ccccc3)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL281361 | 99156 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 589 | 7 | 1 | 5 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](NCc3ccccc3)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 44273173 | 98997 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 555 | 7 | 0 | 5 | 4.0 | CCN(CC)[C@@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL280202 | 98997 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 555 | 7 | 0 | 5 | 4.0 | CCN(CC)[C@@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 44336768 | 163328 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 599 | 7 | 3 | 4 | 6.1 | O=C(O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL419183 | 163328 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 599 | 7 | 3 | 4 | 6.1 | O=C(O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 56848489 | 144857 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 4.0 | CCNC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL3909988 | 144857 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 4.0 | CCNC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| 44335329 | 167814 | 0 | None | -1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 561 | 4 | 1 | 3 | 7.6 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)cc2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL430841 | 167814 | 0 | None | -1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 561 | 4 | 1 | 3 | 7.6 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)cc2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 9915472 | 169499 | 0 | None | -14 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 547 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL443498 | 169499 | 0 | None | -14 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 547 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 14969549 | 201745 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 435 | 8 | 1 | 4 | 2.8 | O=CNCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL60672 | 201745 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 435 | 8 | 1 | 4 | 2.8 | O=CNCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 19699093 | 120012 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL350383 | 120012 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 10503021 | 102709 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 5.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL304956 | 102709 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 5.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C | 10.1016/s0960-894x(03)00388-3 | ||
| 5099582 | 110479 | 9 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 322 | 3 | 1 | 2 | 3.9 | CC(C)C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL324935 | 110479 | 9 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 322 | 3 | 1 | 2 | 3.9 | CC(C)C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 10574499 | 112961 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)c1 | 10.1021/jm960133o | ||
| CHEMBL331098 | 112961 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)c1 | 10.1021/jm960133o | ||
| 56848557 | 146648 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 607 | 9 | 3 | 7 | 3.5 | CC(=O)NC(C)(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL3923775 | 146648 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 607 | 9 | 3 | 7 | 3.5 | CC(=O)NC(C)(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| 10719289 | 205609 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL81755 | 205609 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl | 10.1021/jm980179c | ||
| 14969550 | 200225 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 3.2 | O=CNCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL59699 | 200225 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 3.2 | O=CNCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 44335356 | 5193 | 0 | None | -5 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 385 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCNc3ccccc32)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL106229 | 5193 | 0 | None | -5 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 385 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCNc3ccccc32)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 14969505 | 102624 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 340 | 2 | 0 | 3 | 3.3 | O=C(c1cccs1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL304430 | 102624 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 340 | 2 | 0 | 3 | 3.3 | O=C(c1cccs1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 118720267 | 115814 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 975 | 21 | 10 | 13 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354578 | 115814 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 975 | 21 | 10 | 13 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 10763869 | 11843 | 1 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 406 | 4 | 1 | 3 | 4.5 | O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCCc2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118244 | 11843 | 1 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 406 | 4 | 1 | 3 | 4.5 | O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCCc2ccccc21 | 10.1021/jm960133o | ||
| 15307967 | 102264 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 432 | 3 | 1 | 2 | 6.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL303376 | 102264 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 432 | 3 | 1 | 2 | 6.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 448537 | 160226 | 89 | None | -45 | 25 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL411 | 160226 | 89 | None | -45 | 25 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| 10551037 | 204211 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| CHEMBL70981 | 204211 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| 11798757 | 204265 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F | 10.1021/jm980179c | ||
| CHEMBL71305 | 204265 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F | 10.1021/jm980179c | ||
| 23598560 | 4419 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 512 | 4 | 1 | 2 | 7.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL101678 | 4419 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 512 | 4 | 1 | 2 | 7.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 10551037 | 204211 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL70981 | 204211 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 11798757 | 204265 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71305 | 204265 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(03)00388-3 | ||
| 53378841 | 145872 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 1 | 6 | 5.1 | O=c1n(Cc2cncc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | ||
| CHEMBL3917760 | 145872 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 1 | 6 | 5.1 | O=c1n(Cc2cncc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | ||
| 86690918 | 151796 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 547 | 6 | 1 | 6 | 6.4 | O=c1n(Cc2ccc(-c3cccc(Cl)c3Cl)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3965329 | 151796 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 547 | 6 | 1 | 6 | 6.4 | O=c1n(Cc2ccc(-c3cccc(Cl)c3Cl)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 44294195 | 101288 | 1 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 519 | 4 | 1 | 5 | 6.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(-c2ccccn2)ccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL296619 | 101288 | 1 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 519 | 4 | 1 | 5 | 6.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(-c2ccccn2)ccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL2112249 | 209213 | 1 | None | - | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10838492 | 13432 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 481 | 4 | 1 | 3 | 6.3 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL119318 | 13432 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 481 | 4 | 1 | 3 | 6.3 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 11798122 | 114506 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 4.9 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL333597 | 114506 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 4.9 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 14969506 | 203171 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 2.1 | O=C(c1cnccn1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL64319 | 203171 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 2.1 | O=C(c1cnccn1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 10693776 | 10129 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| CHEMBL115853 | 10129 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| 44428431 | 167232 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 571 | 10 | 1 | 4 | 5.9 | CC(C)C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL429281 | 167232 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 571 | 10 | 1 | 4 | 5.9 | CC(C)C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 69939726 | 145004 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 6 | 1 | 8 | 3.6 | O=c1n(Cc2cn(-c3ccccc3Cl)nn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3911148 | 145004 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 6 | 1 | 8 | 3.6 | O=c1n(Cc2cn(-c3ccccc3Cl)nn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 44309960 | 204258 | 1 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1cccc(Cl)c1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71282 | 204258 | 1 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1cccc(Cl)c1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| 118719842 | 115740 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1055 | 21 | 11 | 14 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353953 | 115740 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1055 | 21 | 11 | 14 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 21837085 | 102229 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL303176 | 102229 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 10621059 | 114235 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-] | 10.1021/jm960133o | ||
| CHEMBL333055 | 114235 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-] | 10.1021/jm960133o | ||
| 44273321 | 167478 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 542 | 7 | 2 | 6 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCN)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL429971 | 167478 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 542 | 7 | 2 | 6 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCN)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 14969546 | 163256 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 435 | 8 | 1 | 4 | 3.8 | NCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL418692 | 163256 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 435 | 8 | 1 | 4 | 3.8 | NCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 118720260 | 115807 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1061 | 21 | 11 | 15 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2cccs2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354571 | 115807 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1061 | 21 | 11 | 15 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2cccs2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 22405326 | 72307 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 394 | 3 | 0 | 3 | 5.8 | Cc1ccc(Oc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL198446 | 72307 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 394 | 3 | 0 | 3 | 5.8 | Cc1ccc(Oc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| 14969531 | 102074 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 391 | 3 | 1 | 3 | 3.2 | CC(=O)Nc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL302233 | 102074 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 391 | 3 | 1 | 3 | 3.2 | CC(=O)Nc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 10548204 | 12352 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 | 10.1021/jm960133o | ||
| CHEMBL118562 | 12352 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 | 10.1021/jm960133o | ||
| 10601045 | 13929 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 487 | 4 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCC(N3CCCCC3)c3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | ||
| CHEMBL119671 | 13929 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 487 | 4 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCC(N3CCCCC3)c3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | ||
| 10599903 | 14538 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 456 | 4 | 3 | 3 | 4.7 | CNC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL120449 | 14538 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 456 | 4 | 3 | 3 | 4.7 | CNC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 69940395 | 149054 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 514 | 6 | 1 | 7 | 5.1 | O=c1n(Cc2ncc(-c3ccccc3Cl)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3943019 | 149054 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 514 | 6 | 1 | 7 | 5.1 | O=c1n(Cc2ncc(-c3ccccc3Cl)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10742994 | 110352 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 4.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)CC(N)=O)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL324251 | 110352 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 4.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)CC(N)=O)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44273316 | 98843 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 589 | 7 | 1 | 5 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](NCc3ccccc3)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL279022 | 98843 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 589 | 7 | 1 | 5 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](NCc3ccccc3)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 44273417 | 99479 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 555 | 7 | 0 | 5 | 4.0 | CCN(CC)[C@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL283317 | 99479 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 555 | 7 | 0 | 5 | 4.0 | CCN(CC)[C@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 9799174 | 140548 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 364 | 2 | 0 | 2 | 5.4 | O=C(c1ccc(-c2ccccc2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL381248 | 140548 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 364 | 2 | 0 | 2 | 5.4 | O=C(c1ccc(-c2ccccc2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| 9935001 | 53120 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL159823 | 53120 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 25109291 | 191362 | 10 | None | -56 | 8 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| CHEMBL519240 | 191362 | 10 | None | -56 | 8 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| 18917553 | 101435 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 484 | 4 | 1 | 4 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL297705 | 101435 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 484 | 4 | 1 | 4 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(99)00279-6 | ||
| 44332239 | 4501 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 466 | 4 | 1 | 3 | 6.3 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL102311 | 4501 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 466 | 4 | 1 | 3 | 6.3 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 14969555 | 200310 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 519 | 12 | 1 | 4 | 5.1 | CC(=O)NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL59754 | 200310 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 519 | 12 | 1 | 4 | 5.1 | CC(=O)NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 118720273 | 115819 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 974 | 21 | 10 | 12 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354583 | 115819 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 974 | 21 | 10 | 12 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL338020 | 211580 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10837161 | 11888 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 447 | 4 | 1 | 3 | 5.6 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118270 | 11888 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 447 | 4 | 1 | 3 | 5.6 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 10716675 | 114889 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 413 | 4 | 1 | 3 | 5.0 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL334225 | 114889 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 413 | 4 | 1 | 3 | 5.0 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 67409800 | 146873 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 497 | 6 | 1 | 7 | 4.2 | O=c1n(Cc2cnn(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3925572 | 146873 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 497 | 6 | 1 | 7 | 4.2 | O=c1n(Cc2cnn(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10503021 | 102709 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 5.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C | 10.1021/jm980179c | ||
| CHEMBL304956 | 102709 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 5.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C | 10.1021/jm980179c | ||
| 10789117 | 204589 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 4 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| CHEMBL73286 | 204589 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 4 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| 10789117 | 204589 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 4 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL73286 | 204589 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 4 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 44293784 | 187873 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 444 | 3 | 1 | 4 | 4.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(F)ccc1F | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL49657 | 187873 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 444 | 3 | 1 | 4 | 4.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(F)ccc1F | 10.1016/s0960-894x(99)00279-6 | ||
| 14969532 | 100893 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 359 | 2 | 0 | 3 | 3.1 | N#Cc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL293922 | 100893 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 359 | 2 | 0 | 3 | 3.1 | N#Cc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 14969519 | 201845 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 379 | 3 | 0 | 4 | 3.2 | O=C(c1cccc([N+](=O)[O-])c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL60726 | 201845 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 379 | 3 | 0 | 4 | 3.2 | O=C(c1cccc([N+](=O)[O-])c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 9826033 | 57432 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 471 | 4 | 2 | 2 | 6.7 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL165670 | 57432 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 471 | 4 | 2 | 2 | 6.7 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 10619160 | 11813 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 | 10.1021/jm960133o | ||
| CHEMBL118220 | 11813 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 | 10.1021/jm960133o | ||
| 44352768 | 115230 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL334777 | 115230 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 10696913 | 205546 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 505 | 4 | 1 | 4 | 6.3 | COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL81269 | 205546 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 505 | 4 | 1 | 4 | 6.3 | COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| 44444760 | 154595 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL399288 | 154595 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 14969537 | 200284 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 5 | 0 | 3 | 4.1 | CCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL59740 | 200284 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 5 | 0 | 3 | 4.1 | CCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 14981574 | 78845 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1021/jm00031a004 | ||
| CHEMBL2112898 | 78845 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1021/jm00031a004 | ||
| 10483105 | 90651 | 1 | None | - | 4 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| CHEMBL2391300 | 90651 | 1 | None | - | 4 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 118719841 | 115739 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccncc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353952 | 115739 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccncc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL339118 | 211594 | 0 | None | - | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10527129 | 13817 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 441 | 4 | 2 | 3 | 4.9 | CC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL119591 | 13817 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 441 | 4 | 2 | 3 | 4.9 | CC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 10499401 | 14000 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 370 | 4 | 1 | 2 | 4.5 | O=C(Cc1ccccc1)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL119730 | 14000 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 370 | 4 | 1 | 2 | 4.5 | O=C(Cc1ccccc1)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 10647295 | 110247 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)CC#N)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL323802 | 110247 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)CC#N)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL435021 | 213638 | 2 | None | - | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 9954905 | 101885 | 4 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 4.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL300946 | 101885 | 4 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 4.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| 10528416 | 104702 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 471 | 4 | 1 | 4 | 5.6 | COc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| CHEMBL310581 | 104702 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 471 | 4 | 1 | 4 | 5.6 | COc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| 10743659 | 205679 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 6.6 | Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL82376 | 205679 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 6.6 | Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| 54582950 | 63007 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL1788220 | 63007 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 14969541 | 100881 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 376 | 4 | 0 | 2 | 4.2 | CCCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL293863 | 100881 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 376 | 4 | 0 | 2 | 4.2 | CCCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 14969545 | 102634 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 1 | 4 | 3.4 | NCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL304485 | 102634 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 1 | 4 | 3.4 | NCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 118720287 | 115835 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1022 | 21 | 10 | 12 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354599 | 115835 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1022 | 21 | 10 | 12 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL52813 | 215682 | 0 | None | - | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10667727 | 11001 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.1 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c(C)c1 | 10.1021/jm960133o | ||
| CHEMBL117566 | 11001 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.1 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c(C)c1 | 10.1021/jm960133o | ||
| 89701036 | 151779 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 496 | 7 | 2 | 7 | 3.2 | O=c1n(Cc2nnc(Cc3ccccc3F)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3965167 | 151779 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 496 | 7 | 2 | 7 | 3.2 | O=c1n(Cc2nnc(Cc3ccccc3F)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 172997 | 2318 | 57 | None | - | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| 2238 | 2318 | 57 | None | - | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| CHEMBL49429 | 2318 | 57 | None | - | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| DB06666 | 2318 | 57 | None | - | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| 10814200 | 163480 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 3 | 1 | 3 | 6.2 | Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1 | 10.1021/jm980179c | ||
| CHEMBL420216 | 163480 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 3 | 1 | 3 | 6.2 | Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1 | 10.1021/jm980179c | ||
| 172997 | 2318 | 57 | None | - | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| 2238 | 2318 | 57 | None | - | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL49429 | 2318 | 57 | None | - | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| DB06666 | 2318 | 57 | None | - | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| 118719832 | 115730 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1009 | 21 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353943 | 115730 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1009 | 21 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 44335343 | 107443 | 0 | None | -1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 519 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL318392 | 107443 | 0 | None | -1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 519 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| 20825285 | 109170 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 595 | 4 | 1 | 3 | 8.2 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)c(Cl)c2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL321561 | 109170 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 595 | 4 | 1 | 3 | 8.2 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)c(Cl)c2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 14969542 | 200529 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 4.6 | CCCCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL59900 | 200529 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 4.6 | CCCCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 118719844 | 115742 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1056 | 21 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccncc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353955 | 115742 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1056 | 21 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccncc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 14969528 | 202791 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 392 | 3 | 0 | 4 | 3.1 | COC(=O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL62344 | 202791 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 392 | 3 | 0 | 4 | 3.1 | COC(=O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL2370623 | 209868 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 15307998 | 101070 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 3 | 1 | 3 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccsc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(99)00278-4 | ||
| CHEMBL295014 | 101070 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 3 | 1 | 3 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccsc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(99)00278-4 | ||
| 14969557 | 202501 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 7 | 1 | 5 | 3.4 | COC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL61154 | 202501 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 7 | 1 | 5 | 3.4 | COC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 14981575 | 78843 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 582 | 10 | 1 | 7 | 2.1 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(C)C)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112896 | 78843 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 582 | 10 | 1 | 7 | 2.1 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(C)C)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 11005810 | 10434 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 6.2 | N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| CHEMBL116463 | 10434 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 6.2 | N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| 10743786 | 163455 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 3 | 1 | 3 | 6.4 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL420031 | 163455 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 3 | 1 | 3 | 6.4 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1Cl | 10.1021/jm980179c | ||
| 23598595 | 154779 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 5 | 2 | 3 | 7.0 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL400266 | 154779 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 5 | 2 | 3 | 7.0 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 10437668 | 78851 | 1 | None | - | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112903 | 78851 | 1 | None | - | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 10459252 | 52621 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 517 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL159359 | 52621 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 517 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 2249 | 2215 | 18 | None | -30 | 6 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 9872389 | 2215 | 18 | None | -30 | 6 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| CHEMBL1253853 | 2215 | 18 | None | -30 | 6 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 14969527 | 203215 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 349 | 2 | 1 | 3 | 2.9 | Nc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL64520 | 203215 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 349 | 2 | 1 | 3 | 2.9 | Nc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 14969522 | 203293 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 392 | 3 | 0 | 4 | 3.2 | CC(=O)Oc1cccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)c1 | 10.1021/jm00066a010 | ||
| CHEMBL64836 | 203293 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 392 | 3 | 0 | 4 | 3.2 | CC(=O)Oc1cccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)c1 | 10.1021/jm00066a010 | ||
| CHEMBL2112247 | 209211 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 14969507 | 162332 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 335 | 2 | 0 | 3 | 2.7 | O=C(c1ccncc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL416505 | 162332 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 335 | 2 | 0 | 3 | 2.7 | O=C(c1ccncc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 10764664 | 204356 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| CHEMBL71797 | 204356 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| 10764664 | 204356 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71797 | 204356 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 118720289 | 115837 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1029 | 20 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354601 | 115837 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1029 | 20 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 10524974 | 114033 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL332685 | 114033 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44428420 | 92163 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 10 | 0 | 5 | 5.6 | CC(C)C[C@@H](C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL242517 | 92163 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 10 | 0 | 5 | 5.6 | CC(C)C[C@@H](C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 86690936 | 149103 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 596 | 7 | 1 | 10 | 3.2 | O=c1n(S(=O)(=O)c2ncnn2Cc2ccccc2C(F)(F)F)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | ||
| CHEMBL3943296 | 149103 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 596 | 7 | 1 | 10 | 3.2 | O=c1n(S(=O)(=O)c2ncnn2Cc2ccccc2C(F)(F)F)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | ||
| 118720259 | 115806 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1031 | 20 | 11 | 15 | -1.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccco2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354570 | 115806 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1031 | 20 | 11 | 15 | -1.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccco2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 10692311 | 164014 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 399 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL420880 | 164014 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 399 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44336791 | 8092 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 527 | 6 | 3 | 4 | 4.5 | O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL109166 | 8092 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 527 | 6 | 3 | 4 | 4.5 | O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 9937535 | 63008 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL1788221 | 63008 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44336799 | 107204 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 596 | 7 | 2 | 5 | 4.8 | O=C(NCCN1CCOCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL316736 | 107204 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 596 | 7 | 2 | 5 | 4.8 | O=C(NCCN1CCOCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 67409933 | 150041 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 5.5 | COc1ccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)cc1 | nan | ||
| CHEMBL3950716 | 150041 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 5.5 | COc1ccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)cc1 | nan | ||
| 56848491 | 152395 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 651 | 9 | 3 | 8 | 4.7 | CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| CHEMBL3970631 | 152395 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 651 | 9 | 3 | 8 | 4.7 | CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| 56848624 | 160743 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 566 | 9 | 3 | 7 | 3.0 | O=C(Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)N[C@@H](CO)Cc1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL4114132 | 160743 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 566 | 9 | 3 | 7 | 3.0 | O=C(Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)N[C@@H](CO)Cc1cccc(C(F)(F)F)c1 | nan | ||
| 10392505 | 108565 | 0 | None | -4 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL320416 | 108565 | 0 | None | -4 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00649-2 | ||
| 88064173 | 151602 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 530 | 7 | 1 | 6 | 5.4 | O=c1n(Cc2nnc(Cc3c(Cl)cccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1CCC(F)(F)F | nan | ||
| CHEMBL3963751 | 151602 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 530 | 7 | 1 | 6 | 5.4 | O=c1n(Cc2nnc(Cc3c(Cl)cccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1CCC(F)(F)F | nan | ||
| 44428429 | 92165 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 571 | 10 | 1 | 4 | 5.9 | CC(C)C[C@@H](C(=O)NCc1cccc(Cl)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL242534 | 92165 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 571 | 10 | 1 | 4 | 5.9 | CC(C)C[C@@H](C(=O)NCc1cccc(Cl)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44293777 | 188085 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1c(F)cccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL49824 | 188085 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1c(F)cccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| 44444761 | 94136 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 532 | 4 | 1 | 4 | 6.2 | COC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249536 | 94136 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 532 | 4 | 1 | 4 | 6.2 | COC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 44428418 | 92162 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 8 | 0 | 5 | 4.2 | O=C(CN1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)OCc1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL242516 | 92162 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 8 | 0 | 5 | 4.2 | O=C(CN1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)OCc1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 15307988 | 204339 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 3 | 1 | 3 | 6.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71712 | 204339 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 3 | 1 | 3 | 6.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL2112248 | 209212 | 0 | None | - | 2 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 2984025 | 12859 | 6 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 346 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccco1 | 10.1021/jm960133o | ||
| CHEMBL118892 | 12859 | 6 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 346 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccco1 | 10.1021/jm960133o | ||
| 44428423 | 92268 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 578 | 10 | 0 | 7 | 4.5 | CC1(C(C(=O)OCC[Si](C)(C)C)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL242733 | 92268 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 578 | 10 | 0 | 7 | 4.5 | CC1(C(C(=O)OCC[Si](C)(C)C)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 | 10.1016/j.bmc.2006.12.031 | ||
| 44428430 | 93227 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 605 | 10 | 1 | 4 | 6.2 | CC(C)C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL244865 | 93227 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 605 | 10 | 1 | 4 | 6.2 | CC(C)C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44332269 | 167795 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 5 | 1 | 4 | 6.3 | COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL430676 | 167795 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 5 | 1 | 4 | 6.3 | COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 10692266 | 14098 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 398 | 3 | 1 | 2 | 5.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL119806 | 14098 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 398 | 3 | 1 | 2 | 5.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 172997 | 2318 | 57 | None | - | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(03)00388-3 | ||
| 2238 | 2318 | 57 | None | - | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL49429 | 2318 | 57 | None | - | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(03)00388-3 | ||
| DB06666 | 2318 | 57 | None | - | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(03)00388-3 | ||
| 19699133 | 119905 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 496 | 3 | 1 | 5 | 5.9 | Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1)CC2 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL349506 | 119905 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 496 | 3 | 1 | 5 | 5.9 | Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1)CC2 | 10.1016/s0960-894x(00)00084-6 | ||
| 44273034 | 99020 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.3 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCC(=O)O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL280356 | 99020 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.3 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCC(=O)O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 44273459 | 73898 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 482 | 4 | 0 | 4 | 3.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C=CC1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20205 | 73898 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 482 | 4 | 0 | 4 | 3.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C=CC1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 14969551 | 202159 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 6 | 1 | 4 | 2.8 | CC(=O)NCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL60954 | 202159 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 6 | 1 | 4 | 2.8 | CC(=O)NCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 14969538 | 203260 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 406 | 6 | 0 | 3 | 4.5 | CCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL64695 | 203260 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 406 | 6 | 0 | 3 | 4.5 | CCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 44428424 | 152564 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 567 | 9 | 1 | 6 | 3.9 | CC1(C(C(=O)NCc2ccccc2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL397188 | 152564 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 567 | 9 | 1 | 6 | 3.9 | CC1(C(C(=O)NCc2ccccc2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 | 10.1016/j.bmc.2006.12.031 | ||
| 15307999 | 101379 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 492 | 3 | 1 | 3 | 7.1 | O=C(Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(99)00278-4 | ||
| CHEMBL297293 | 101379 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 492 | 3 | 1 | 3 | 7.1 | O=C(Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(99)00278-4 | ||
| 10648029 | 105393 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 3 | 1 | 3 | 6.2 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1C | 10.1021/jm980179c | ||
| CHEMBL311931 | 105393 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 3 | 1 | 3 | 6.2 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1C | 10.1021/jm980179c | ||
| 977621 | 10057 | 12 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 322 | 4 | 1 | 2 | 4.0 | CCCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL115434 | 10057 | 12 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 322 | 4 | 1 | 2 | 4.0 | CCCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 9937535 | 63008 | 1 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL1788221 | 63008 | 1 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 114904 | 2933 | 56 | None | 7 | 7 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00066a010 | ||
| 2196 | 2933 | 56 | None | 7 | 7 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00066a010 | ||
| CHEMBL296908 | 2933 | 56 | None | 7 | 7 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00066a010 | ||
| 44352757 | 118428 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL341173 | 118428 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 14981581 | 78840 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 686 | 11 | 2 | 9 | 1.7 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCS(=O)(=O)CC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112893 | 78840 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 686 | 11 | 2 | 9 | 1.7 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCS(=O)(=O)CC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 14969513 | 203197 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1cccc(Cl)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL64434 | 203197 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1cccc(Cl)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 10673699 | 106657 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 527 | 3 | 1 | 3 | 6.8 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1cccc(C(F)(F)F)c1F | 10.1021/jm980179c | ||
| CHEMBL314344 | 106657 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 527 | 3 | 1 | 3 | 6.8 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1cccc(C(F)(F)F)c1F | 10.1021/jm980179c | ||
| 14306032 | 151483 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 568 | 9 | 0 | 7 | 4.3 | CC1(C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL396270 | 151483 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 568 | 9 | 0 | 7 | 4.3 | CC1(C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 | 10.1016/j.bmc.2006.12.031 | ||
| 10673295 | 104869 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 509 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL311230 | 104869 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 509 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| 10835094 | 12054 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 404 | 3 | 1 | 2 | 5.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | ||
| CHEMBL118387 | 12054 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 404 | 3 | 1 | 2 | 5.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | ||
| 21837089 | 103783 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 5.3 | CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL309096 | 103783 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 5.3 | CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 86690916 | 150901 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 549 | 6 | 1 | 8 | 4.9 | O=c1n(Cc2nnc(-c3ccccc3C(F)(F)F)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3957738 | 150901 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 549 | 6 | 1 | 8 | 4.9 | O=c1n(Cc2nnc(-c3ccccc3C(F)(F)F)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 44332208 | 4214 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 3 | 1 | 2 | 7.6 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL100447 | 4214 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 3 | 1 | 2 | 7.6 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.02.103 | ||
| 9951649 | 202716 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 377 | 3 | 0 | 3 | 3.3 | CN(C)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL61906 | 202716 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 377 | 3 | 0 | 3 | 3.3 | CN(C)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 19699114 | 53346 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.9 | Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)C3CCCCC3)cc1)CC2 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL160029 | 53346 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.9 | Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)C3CCCCC3)cc1)CC2 | 10.1016/s0960-894x(00)00084-6 | ||
| 118720283 | 115829 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1022 | 20 | 10 | 12 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354593 | 115829 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1022 | 20 | 10 | 12 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 14969523 | 203096 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 3 | 0 | 4 | 3.2 | CC(=O)Oc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL64046 | 203096 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 3 | 0 | 4 | 3.2 | CC(=O)Oc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 44232512 | 115833 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1038 | 21 | 11 | 13 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354597 | 115833 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1038 | 21 | 11 | 13 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 67408780 | 152105 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 550 | 7 | 2 | 6 | 4.8 | NC(=O)c1ccc(-c2ccccc2Cl)cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O | nan | ||
| CHEMBL3967902 | 152105 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 550 | 7 | 2 | 6 | 4.8 | NC(=O)c1ccc(-c2ccccc2Cl)cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O | nan | ||
| 44273013 | 99442 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 543 | 7 | 2 | 6 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCO)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL283126 | 99442 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 543 | 7 | 2 | 6 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCO)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 44428416 | 142867 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 566 | 9 | 0 | 6 | 5.2 | CC(C)(C)C(=O)C(C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL389363 | 142867 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 566 | 9 | 0 | 6 | 5.2 | CC(C)(C)C(=O)C(C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 10461417 | 107274 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL317243 | 107274 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44336379 | 107390 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 582 | 8 | 2 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL318083 | 107390 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 582 | 8 | 2 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 44336784 | 109181 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 626 | 9 | 2 | 4 | 7.0 | CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL321656 | 109181 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 626 | 9 | 2 | 4 | 7.0 | CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44336404 | 110932 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 568 | 7 | 2 | 4 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL326225 | 110932 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 568 | 7 | 2 | 4 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 56848623 | 151657 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 561 | 9 | 3 | 8 | 2.9 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| CHEMBL3964135 | 151657 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 561 | 9 | 3 | 8 | 2.9 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| 11157078 | 94166 | 7 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249741 | 94166 | 7 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 44335345 | 5139 | 0 | None | -4 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 505 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL105961 | 5139 | 0 | None | -4 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 505 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| 53378731 | 153704 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 556 | 8 | 2 | 9 | 3.3 | O=C(O)Cn1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl | nan | ||
| CHEMBL3981686 | 153704 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 556 | 8 | 2 | 9 | 3.3 | O=C(O)Cn1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl | nan | ||
| 44332272 | 107212 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 3 | 1 | 2 | 6.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCC4(C=CCCC4)Cc4ccccc43)cc2)c1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL316849 | 107212 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 3 | 1 | 2 | 6.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCC4(C=CCCC4)Cc4ccccc43)cc2)c1 | 10.1016/j.bmcl.2004.02.103 | ||
| 14969540 | 100781 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | CCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL293184 | 100781 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | CCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 14969534 | 167860 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 412 | 2 | 0 | 2 | 4.0 | O=C(c1ccc(Br)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL431159 | 167860 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 412 | 2 | 0 | 2 | 4.0 | O=C(c1ccc(Br)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 14969517 | 200519 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 348 | 2 | 0 | 2 | 3.6 | Cc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL59896 | 200519 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 348 | 2 | 0 | 2 | 3.6 | Cc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 15307972 | 204326 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 446 | 3 | 1 | 2 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71626 | 204326 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 446 | 3 | 1 | 2 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 56848685 | 151771 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 603 | 10 | 2 | 9 | 4.5 | COCCn1c(-c2ccc(Cl)s2)nn(CC(=O)NCC(NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1=O | nan | ||
| CHEMBL3965109 | 151771 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 603 | 10 | 2 | 9 | 4.5 | COCCn1c(-c2ccc(Cl)s2)nn(CC(=O)NCC(NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1=O | nan | ||
| CHEMBL340204 | 211609 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44357890 | 168369 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 462 | 5 | 1 | 3 | 6.0 | Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(C)c1 | 10.1021/jm000108p | ||
| CHEMBL434654 | 168369 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 462 | 5 | 1 | 3 | 6.0 | Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(C)c1 | 10.1021/jm000108p | ||
| 10762667 | 12784 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL118829 | 12784 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 10668163 | 13759 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1 | 10.1021/jm960133o | ||
| CHEMBL119551 | 13759 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1 | 10.1021/jm960133o | ||
| 10927276 | 110594 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 391 | 2 | 1 | 4 | 3.2 | O=C(OC1CCc2ccccc21)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm010878g | ||
| CHEMBL325674 | 110594 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 391 | 2 | 1 | 4 | 3.2 | O=C(OC1CCc2ccccc21)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm010878g | ||
| 44273425 | 98875 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.6 | C[C@@H](O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL279281 | 98875 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.6 | C[C@@H](O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 44428426 | 152568 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 598 | 9 | 0 | 5 | 5.4 | CC(C)C[C@@H](C(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL397189 | 152568 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 598 | 9 | 0 | 5 | 5.4 | CC(C)C[C@@H](C(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 10742418 | 104459 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 455 | 3 | 1 | 3 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | ||
| CHEMBL310416 | 104459 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 455 | 3 | 1 | 3 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | ||
| 44303524 | 102138 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 463 | 7 | 0 | 4 | 3.5 | CC(=O)N(C)CCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL302624 | 102138 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 463 | 7 | 0 | 4 | 3.5 | CC(=O)N(C)CCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 10672170 | 205373 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | ||
| CHEMBL80029 | 205373 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | ||
| 118719825 | 115723 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1032 | 20 | 10 | 14 | -2.5 | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](OC)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm500365s | ||
| CHEMBL3353936 | 115723 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1032 | 20 | 10 | 14 | -2.5 | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](OC)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm500365s | ||
| 11740743 | 14076 | 0 | None | - | 3 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL119793 | 14076 | 0 | None | - | 3 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 21837086 | 169426 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 425 | 3 | 1 | 3 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL442743 | 169426 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 425 | 3 | 1 | 3 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(03)00388-3 | ||
| 15307971 | 204534 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 418 | 3 | 1 | 2 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL72945 | 204534 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 418 | 3 | 1 | 2 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 10436379 | 74150 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20230 | 74150 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1016/0960-894X(94)00469-V | ||
| 53378951 | 144755 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 507 | 6 | 1 | 5 | 5.7 | O=c1n(Cc2cccc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | ||
| CHEMBL3909196 | 144755 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 507 | 6 | 1 | 5 | 5.7 | O=c1n(Cc2cccc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | ||
| CHEMBL129733 | 208659 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10742418 | 104459 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 3 | 1 | 3 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | ||
| CHEMBL310416 | 104459 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 3 | 1 | 3 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | ||
| 22099567 | 101312 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 457 | 3 | 1 | 4 | 5.6 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00278-4 | ||
| CHEMBL296814 | 101312 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 457 | 3 | 1 | 4 | 5.6 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00278-4 | ||
| 44335241 | 167974 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 575 | 4 | 1 | 3 | 8.0 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(CC5)N4Cc4cc(Cl)ccc43)cc2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL432009 | 167974 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 575 | 4 | 1 | 3 | 8.0 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(CC5)N4Cc4cc(Cl)ccc43)cc2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 9824954 | 73831 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 449 | 2 | 1 | 5 | 5.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL201889 | 73831 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 449 | 2 | 1 | 5 | 5.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| 44336636 | 164141 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 585 | 7 | 3 | 4 | 6.0 | O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL421039 | 164141 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 585 | 7 | 3 | 4 | 6.0 | O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44213442 | 102003 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 460 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL301788 | 102003 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 460 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| 10837633 | 102997 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(F)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL306970 | 102997 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(F)cc1Cl | 10.1021/jm980179c | ||
| 69940338 | 150605 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 7 | 4.2 | O=c1n(Cc2cn(-c3ccccc3Cl)cn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3955416 | 150605 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 7 | 4.2 | O=c1n(Cc2cn(-c3ccccc3Cl)cn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 71146879 | 146110 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 2 | 7 | 3.8 | O=c1n(Cc2nnc(-c3ccccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3919631 | 146110 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 2 | 7 | 3.8 | O=c1n(Cc2nnc(-c3ccccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 87388676 | 151842 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 533 | 6 | 1 | 8 | 4.4 | O=c1n(Cc2nc(-c3ccccc3C(F)(F)F)no2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3965602 | 151842 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 533 | 6 | 1 | 8 | 4.4 | O=c1n(Cc2nc(-c3ccccc3C(F)(F)F)no2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 14981577 | 78848 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 636 | 11 | 2 | 7 | 3.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCCCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112900 | 78848 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 636 | 11 | 2 | 7 | 3.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCCCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 9805972 | 98587 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](N)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL276990 | 98587 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](N)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 14306046 | 151484 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 552 | 8 | 0 | 7 | 3.5 | CC1(C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H]2/C=C/c2ccccc2)OCCO1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL396271 | 151484 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 552 | 8 | 0 | 7 | 3.5 | CC1(C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H]2/C=C/c2ccccc2)OCCO1 | 10.1016/j.bmc.2006.12.031 | ||
| 14969535 | 201126 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 364 | 3 | 0 | 3 | 3.3 | COc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL60323 | 201126 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 364 | 3 | 0 | 3 | 3.3 | COc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 56848488 | 149531 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 609 | 10 | 3 | 8 | 3.3 | NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL3946734 | 149531 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 609 | 10 | 3 | 8 | 3.3 | NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| 22405325 | 133535 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 427 | 4 | 0 | 4 | 5.5 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3cccs3)cc1)C2 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL371055 | 133535 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 427 | 4 | 0 | 4 | 5.5 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3cccs3)cc1)C2 | 10.1016/j.bmcl.2005.08.007 | ||
| 10762739 | 114356 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 386 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL333135 | 114356 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 386 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 14969525 | 201104 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 350 | 2 | 1 | 3 | 3.0 | O=C(c1cccc(O)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL60312 | 201104 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 350 | 2 | 1 | 3 | 3.0 | O=C(c1cccc(O)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 22405327 | 140251 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 409 | 3 | 0 | 4 | 5.3 | O=C(c1ccc(-c2ccccc2[N+](=O)[O-])cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL380579 | 140251 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 409 | 3 | 0 | 4 | 5.3 | O=C(c1ccc(-c2ccccc2[N+](=O)[O-])cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| 118720286 | 115834 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1038 | 21 | 11 | 13 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354598 | 115834 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1038 | 21 | 11 | 13 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 10673295 | 104869 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 509 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL311230 | 104869 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 509 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| 10548464 | 15350 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc(Cl)c1 | 10.1021/jm960133o | ||
| CHEMBL121455 | 15350 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc(Cl)c1 | 10.1021/jm960133o | ||
| 71450903 | 78849 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 614 | 12 | 3 | 9 | 0.8 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(CO)CO)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112901 | 78849 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 614 | 12 | 3 | 9 | 0.8 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(CO)CO)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 10939174 | 9997 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 443 | 3 | 1 | 6 | 3.1 | O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm010878g | ||
| CHEMBL115076 | 9997 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 443 | 3 | 1 | 6 | 3.1 | O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm010878g | ||
| 118719823 | 115721 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1033 | 19 | 10 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](SC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353934 | 115721 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1033 | 19 | 10 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](SC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 14969548 | 202108 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 477 | 11 | 1 | 4 | 4.9 | NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL60905 | 202108 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 477 | 11 | 1 | 4 | 4.9 | NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 44335386 | 107983 | 0 | None | -14 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL319433 | 107983 | 0 | None | -14 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(02)00649-2 | ||
| 14981578 | 78844 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 2.3 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCOCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112897 | 78844 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 2.3 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCOCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 44336418 | 108160 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 569 | 6 | 2 | 5 | 5.0 | COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL319636 | 108160 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 569 | 6 | 2 | 5 | 5.0 | COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44336402 | 168107 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 7 | 2 | 4 | 6.0 | O=C(NCCN1CCCCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL432973 | 168107 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 7 | 2 | 4 | 6.0 | O=C(NCCN1CCCCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 56848625 | 145168 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 595 | 9 | 3 | 8 | 3.5 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl | nan | ||
| CHEMBL3912406 | 145168 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 595 | 9 | 3 | 8 | 3.5 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl | nan | ||
| 18917497 | 101693 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1Br | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL299532 | 101693 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1Br | 10.1016/s0960-894x(99)00279-6 | ||
| 10837633 | 102997 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL306970 | 102997 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| 11282041 | 88536 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 437 | 4 | 2 | 4 | 2.8 | Cc1ccc(C(=O)N2CC3CNCC(C2)O3)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm700949w | ||
| CHEMBL235393 | 88536 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 437 | 4 | 2 | 4 | 2.8 | Cc1ccc(C(=O)N2CC3CNCC(C2)O3)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm700949w | ||
| 44434716 | 148369 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 457 | 4 | 2 | 4 | 3.1 | O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(C(=O)N2CC3CNCC(C2)O3)ccc1Cl | 10.1021/jm700949w | ||
| CHEMBL393754 | 148369 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 457 | 4 | 2 | 4 | 3.1 | O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(C(=O)N2CC3CNCC(C2)O3)ccc1Cl | 10.1021/jm700949w | ||
| 10716676 | 110391 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 413 | 4 | 2 | 3 | 4.9 | CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL324488 | 110391 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 413 | 4 | 2 | 3 | 4.9 | CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 9871426 | 116985 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL338901 | 116985 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 118719843 | 115741 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1056 | 21 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccccn2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353954 | 115741 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1056 | 21 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccccn2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL2112654 | 209220 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44332237 | 108572 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 450 | 3 | 1 | 2 | 6.6 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC4(C=CCCC4)Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL320462 | 108572 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 450 | 3 | 1 | 2 | 6.6 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC4(C=CCCC4)Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 118720274 | 115820 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 974 | 21 | 10 | 12 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354584 | 115820 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 974 | 21 | 10 | 12 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 579 | 3122 | 18 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | ||||
| 6918468 | 3122 | 18 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | ||||
| CHEMBL41547 | 3122 | 18 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | ||||
| CHEMBL2371928 | 210131 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2006.07.036 | ||||
| CHEMBL1790937 | 208883 | 0 | None | - | 2 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 669479 | 113458 | 13 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 294 | 2 | 1 | 2 | 3.2 | CC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL331956 | 113458 | 13 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 294 | 2 | 1 | 2 | 3.2 | CC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 14969544 | 102635 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 407 | 6 | 1 | 4 | 3.0 | NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL304486 | 102635 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 407 | 6 | 1 | 4 | 3.0 | NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL2112250 | 209214 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10810133 | 113776 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 385 | 3 | 2 | 2 | 5.3 | O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL332450 | 113776 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 385 | 3 | 2 | 2 | 5.3 | O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 10595449 | 10484 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 372 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL116820 | 10484 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 372 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 3537 | 3973 | 22 | None | -9 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2005.10.107 | ||
| 5311500 | 3973 | 22 | None | -9 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL363910 | 3973 | 22 | None | -9 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2005.10.107 | ||
| 3537 | 3973 | 22 | None | -9 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2007.08.053 | ||
| 5311500 | 3973 | 22 | None | -9 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL363910 | 3973 | 22 | None | -9 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2007.08.053 | ||
| 44428425 | 142082 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 626 | 11 | 0 | 5 | 6.0 | CC(C)C[C@@H](C(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL388253 | 142082 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 626 | 11 | 0 | 5 | 6.0 | CC(C)C[C@@H](C(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 14969556 | 203198 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 463 | 8 | 1 | 4 | 3.6 | CCC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL64436 | 203198 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 463 | 8 | 1 | 4 | 3.6 | CCC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 10548205 | 12676 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 386 | 3 | 1 | 3 | 5.3 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)Oc1ccccc1 | 10.1021/jm960133o | ||
| CHEMBL118760 | 12676 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 386 | 3 | 1 | 3 | 5.3 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)Oc1ccccc1 | 10.1021/jm960133o | ||
| 9829108 | 5204 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL106293 | 5204 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44336403 | 5350 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 7 | 2 | 4 | 5.6 | O=C(NCCN1CCCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL107058 | 5350 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 7 | 2 | 4 | 5.6 | O=C(NCCN1CCCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 56848622 | 147915 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 595 | 9 | 3 | 8 | 3.3 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| CHEMBL3933782 | 147915 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 595 | 9 | 3 | 8 | 3.3 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| 56848554 | 151821 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 595 | 10 | 3 | 8 | 2.3 | CS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| CHEMBL3965460 | 151821 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 595 | 10 | 3 | 8 | 2.3 | CS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| 11238362 | 168884 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 562 | 6 | 2 | 4 | 6.5 | CCOc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL438523 | 168884 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 562 | 6 | 2 | 4 | 6.5 | CCOc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 10322392 | 4659 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 468 | 3 | 1 | 2 | 6.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL103406 | 4659 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 468 | 3 | 1 | 2 | 6.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 15308000 | 187320 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 3 | 1 | 3 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(99)00278-4 | ||
| CHEMBL49322 | 187320 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 3 | 1 | 3 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(99)00278-4 | ||
| 69940428 | 149847 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 568 | 8 | 2 | 7 | 5.2 | O=C(O)c1cccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)c1 | nan | ||
| CHEMBL3949118 | 149847 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 568 | 8 | 2 | 7 | 5.2 | O=C(O)c1cccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)c1 | nan | ||
| CHEMBL338308 | 211585 | 0 | None | - | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 172997 | 2318 | 57 | None | - | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00279-6 | ||
| 2238 | 2318 | 57 | None | - | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL49429 | 2318 | 57 | None | - | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00279-6 | ||
| DB06666 | 2318 | 57 | None | - | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00279-6 | ||
| 44294175 | 101812 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 520 | 3 | 1 | 4 | 5.8 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(Br)ccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL300433 | 101812 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 520 | 3 | 1 | 4 | 5.8 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(Br)ccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| 44374781 | 53151 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 486 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL159856 | 53151 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 486 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 53378729 | 142430 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 0 | 6 | 5.2 | C=CCn1c(-c2ccc(Cl)cc2)nn(Cc2cncn2Cc2c(Cl)cccc2Cl)c1=O | nan | ||
| CHEMBL3890193 | 142430 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 0 | 6 | 5.2 | C=CCn1c(-c2ccc(Cl)cc2)nn(Cc2cncn2Cc2c(Cl)cccc2Cl)c1=O | nan | ||
| 14969518 | 202662 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 379 | 3 | 0 | 4 | 3.2 | O=C(c1ccccc1[N+](=O)[O-])N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL61578 | 202662 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 379 | 3 | 0 | 4 | 3.2 | O=C(c1ccccc1[N+](=O)[O-])N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 14969515 | 203183 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 348 | 2 | 0 | 2 | 3.6 | Cc1ccccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL64375 | 203183 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 348 | 2 | 0 | 2 | 3.6 | Cc1ccccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 44428432 | 92010 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 654 | 10 | 0 | 6 | 5.6 | CC(C)(C)C(=O)[C@@H](C(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@H]2c2ccccc2)C1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL241859 | 92010 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 654 | 10 | 0 | 6 | 5.6 | CC(C)(C)C(=O)[C@@H](C(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@H]2c2ccccc2)C1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44310140 | 204444 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 423 | 3 | 2 | 4 | 4.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1O | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL72342 | 204444 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 423 | 3 | 2 | 4 | 4.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1O | 10.1016/s0960-894x(03)00388-3 | ||
| 22405331 | 135314 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 400 | 2 | 0 | 2 | 5.6 | O=C(c1ccc(-c2cc(F)cc(F)c2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL372766 | 135314 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 400 | 2 | 0 | 2 | 5.6 | O=C(c1ccc(-c2cc(F)cc(F)c2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| 21467141 | 119641 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 486 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL347020 | 119641 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 486 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 44272960 | 73236 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 6 | 1 | 5 | 3.2 | CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20126 | 73236 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 6 | 1 | 5 | 3.2 | CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 69940091 | 147892 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 6 | 1 | 6 | 5.1 | O=c1n(Cc2ccnc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3933604 | 147892 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 6 | 1 | 6 | 5.1 | O=c1n(Cc2ccnc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10156521 | 72446 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 378 | 2 | 0 | 2 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL198931 | 72446 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 378 | 2 | 0 | 2 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| 118719837 | 115735 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1059 | 20 | 11 | 14 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353948 | 115735 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1059 | 20 | 11 | 14 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 8105663 | 13397 | 5 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1ccccc1C(=O)N1CCCc2ccccc21)c1ccccc1 | 10.1021/jm960133o | ||
| CHEMBL119291 | 13397 | 5 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1ccccc1C(=O)N1CCCc2ccccc21)c1ccccc1 | 10.1021/jm960133o | ||
| 69940642 | 151755 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 509 | 6 | 1 | 7 | 4.4 | O=c1n(Cc2ccnc(-c3ccccc3Cl)n2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3964983 | 151755 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 509 | 6 | 1 | 7 | 4.4 | O=c1n(Cc2ccnc(-c3ccccc3Cl)n2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10765617 | 12421 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 441 | 6 | 2 | 3 | 5.7 | CCCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118609 | 12421 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 441 | 6 | 2 | 3 | 5.7 | CCCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 71449109 | 78850 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00031a004 | ||
| CHEMBL2112902 | 78850 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00031a004 | ||
| 44213443 | 176994 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 4.8 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL46295 | 176994 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 4.8 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| 23598641 | 94248 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 528 | 5 | 2 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=C(CO)CC3)Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL250346 | 94248 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 528 | 5 | 2 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=C(CO)CC3)Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.059 | ||
| 21837162 | 102506 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 453 | 4 | 1 | 4 | 5.7 | CSc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL304060 | 102506 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 453 | 4 | 1 | 4 | 5.7 | CSc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 18917508 | 188059 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 453 | 4 | 1 | 6 | 4.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1[N+](=O)[O-] | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL49796 | 188059 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 453 | 4 | 1 | 6 | 4.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1[N+](=O)[O-] | 10.1016/s0960-894x(99)00279-6 | ||
| 69940703 | 146174 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 490 | 6 | 0 | 6 | 5.8 | O=c1n(Cc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nc(-c2ccc(Cl)cc2)n1C1CC1 | nan | ||
| CHEMBL3920097 | 146174 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 490 | 6 | 0 | 6 | 5.8 | O=c1n(Cc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nc(-c2ccc(Cl)cc2)n1C1CC1 | nan | ||
| 67412584 | 150753 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 473 | 6 | 1 | 5 | 5.1 | O=c1n(Cc2ncc(Cc3cccc(C(F)(F)F)c3)[nH]2)nc(-c2ccc(Cl)cc2)n1C1CC1 | nan | ||
| CHEMBL3956553 | 150753 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 473 | 6 | 1 | 5 | 5.1 | O=c1n(Cc2ncc(Cc3cccc(C(F)(F)F)c3)[nH]2)nc(-c2ccc(Cl)cc2)n1C1CC1 | nan | ||
| 44310163 | 102196 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1c(Cl)cccc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL302955 | 102196 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1c(Cl)cccc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| 10741034 | 13904 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 424 | 3 | 1 | 2 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)cc(Cl)c1 | 10.1021/jm960133o | ||
| CHEMBL119651 | 13904 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 424 | 3 | 1 | 2 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)cc(Cl)c1 | 10.1021/jm960133o | ||
| 44272990 | 99578 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 500 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL283994 | 99578 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 500 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 10595343 | 114398 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.9 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 | 10.1021/jm960133o | ||
| CHEMBL333201 | 114398 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.9 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 | 10.1021/jm960133o | ||
| 44352783 | 116755 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 6.5 | O=C(Nc1ccc(C(=O)N2CCC(CCO)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL337725 | 116755 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 6.5 | O=C(Nc1ccc(C(=O)N2CCC(CCO)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| 118719838 | 115736 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1071 | 21 | 11 | 15 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(OC)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353949 | 115736 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1071 | 21 | 11 | 15 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(OC)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 44272997 | 71692 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](N)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL19658 | 71692 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](N)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 44212554 | 103648 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 432 | 3 | 1 | 2 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL308741 | 103648 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 432 | 3 | 1 | 2 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 10743970 | 113038 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 499 | 7 | 1 | 5 | 5.2 | CCOC(=O)CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL331173 | 113038 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 499 | 7 | 1 | 5 | 5.2 | CCOC(=O)CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 18917554 | 189797 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 497 | 5 | 1 | 5 | 4.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(CN(C)C)n3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL51645 | 189797 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 497 | 5 | 1 | 5 | 4.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(CN(C)C)n3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| 118720265 | 115812 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 991 | 21 | 11 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354576 | 115812 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 991 | 21 | 11 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 44273426 | 77077 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.6 | C[C@H](CO)NC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20757 | 77077 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.6 | C[C@H](CO)NC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 14969512 | 100779 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1ccccc1Cl)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL293177 | 100779 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1ccccc1Cl)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 44297517 | 155702 | 0 | None | 28 | 3 | Rat | 10.4 | pKd | = | 10.4 | Binding | ChEMBL | 1343 | 39 | 15 | 16 | -1.4 | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL405440 | 155702 | 0 | None | 28 | 3 | Rat | 10.4 | pKd | = | 10.4 | Binding | ChEMBL | 1343 | 39 | 15 | 16 | -1.4 | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 44297525 | 96780 | 0 | None | 10 | 3 | Rat | 10.3 | pKd | = | 10.3 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL265048 | 96780 | 0 | None | 10 | 3 | Rat | 10.3 | pKd | = | 10.3 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 44297516 | 161267 | 0 | None | 22 | 3 | Rat | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL412192 | 161267 | 0 | None | 22 | 3 | Rat | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 71461726 | 79663 | 0 | None | 257 | 2 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1186 | 20 | 11 | 15 | 0.9 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00079a020 | ||
| CHEMBL2115369 | 79663 | 0 | None | 257 | 2 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1186 | 20 | 11 | 15 | 0.9 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00079a020 | ||
| 71461726 | 79663 | 0 | None | 257 | 2 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1186 | 20 | 11 | 15 | 0.9 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00079a020 | ||
| CHEMBL2115369 | 79663 | 0 | None | 257 | 2 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1186 | 20 | 11 | 15 | 0.9 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00079a020 | ||
| 71449189 | 79661 | 0 | None | - | 1 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1203 | 22 | 11 | 16 | 1.1 | CCC1(CC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115365 | 79661 | 0 | None | - | 1 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1203 | 22 | 11 | 16 | 1.1 | CCC1(CC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC1=O | 10.1021/jm00079a020 | ||
| 44297505 | 165833 | 0 | None | 7 | 3 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL424905 | 165833 | 0 | None | 7 | 3 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 71449189 | 79661 | 0 | None | - | 1 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1203 | 22 | 11 | 16 | 1.1 | CCC1(CC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115365 | 79661 | 0 | None | - | 1 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1203 | 22 | 11 | 16 | 1.1 | CCC1(CC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC1=O | 10.1021/jm00079a020 | ||
| 71461726 | 79663 | 0 | None | 257 | 2 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 1186 | 20 | 11 | 15 | 0.9 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00079a020 | ||
| CHEMBL2115369 | 79663 | 0 | None | 257 | 2 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 1186 | 20 | 11 | 15 | 0.9 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00079a020 | ||
| 71461726 | 79663 | 0 | None | 257 | 2 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 1186 | 20 | 11 | 15 | 0.9 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00079a020 | ||
| CHEMBL2115369 | 79663 | 0 | None | 257 | 2 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 1186 | 20 | 11 | 15 | 0.9 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00079a020 | ||
| 145981637 | 166469 | 0 | None | - | 1 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -4.3 | COc1ccc(C[C@@H](NC(=O)C[Se]c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4278500 | 166469 | 0 | None | - | 1 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -4.3 | COc1ccc(C[C@@H](NC(=O)C[Se]c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| 70689895 | 74490 | 0 | None | - | 1 | Rat | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1326 | 27 | 14 | 17 | -0.4 | C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCC/N=C(/N)c1ccc(N=[N+]=[N-])cc1)C(N)=O)N(C)C(=O)[C@H]1CSSCC2(CCCC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00079a020 | ||
| CHEMBL2028983 | 74490 | 0 | None | - | 1 | Rat | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1326 | 27 | 14 | 17 | -0.4 | C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCC/N=C(/N)c1ccc(N=[N+]=[N-])cc1)C(N)=O)N(C)C(=O)[C@H]1CSSCC2(CCCC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00079a020 | ||
| 70689895 | 74490 | 0 | None | - | 1 | Rat | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1326 | 27 | 14 | 17 | -0.4 | C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCC/N=C(/N)c1ccc(N=[N+]=[N-])cc1)C(N)=O)N(C)C(=O)[C@H]1CSSCC2(CCCC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00079a020 | ||
| CHEMBL2028983 | 74490 | 0 | None | - | 1 | Rat | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1326 | 27 | 14 | 17 | -0.4 | C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCC/N=C(/N)c1ccc(N=[N+]=[N-])cc1)C(N)=O)N(C)C(=O)[C@H]1CSSCC2(CCCC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00079a020 | ||
| 145986380 | 167069 | 0 | None | - | 1 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -3.8 | COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2C[Se]C[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4289837 | 167069 | 0 | None | - | 1 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -3.8 | COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2C[Se]C[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| 71458135 | 79660 | 0 | None | 123 | 2 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 1171 | 20 | 11 | 15 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115364 | 79660 | 0 | None | 123 | 2 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 1171 | 20 | 11 | 15 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| 71458135 | 79660 | 0 | None | 123 | 2 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 1171 | 20 | 11 | 15 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115364 | 79660 | 0 | None | 123 | 2 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 1171 | 20 | 11 | 15 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| 145993846 | 167356 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 1179 | 19 | 15 | 14 | -6.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[Se][Se]C[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4294901 | 167356 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 1179 | 19 | 15 | 14 | -6.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[Se][Se]C[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| 71458135 | 79660 | 0 | None | 123 | 2 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 1171 | 20 | 11 | 15 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115364 | 79660 | 0 | None | 123 | 2 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 1171 | 20 | 11 | 15 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| 71458135 | 79660 | 0 | None | 123 | 2 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 1171 | 20 | 11 | 15 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115364 | 79660 | 0 | None | 123 | 2 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 1171 | 20 | 11 | 15 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| 2168 | 3945 | 38 | None | -8 | 9 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | ||||
| 2810 | 3945 | 38 | None | -8 | 9 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | ||||
| 644077 | 3945 | 38 | None | -8 | 9 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | ||||
| CHEMBL373742 | 3945 | 38 | None | -8 | 9 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | ||||
| DB00067 | 3945 | 38 | None | -8 | 9 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | ||||
| 2168 | 3945 | 38 | None | -8 | 9 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | ||||
| 2810 | 3945 | 38 | None | -8 | 9 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | ||||
| 644077 | 3945 | 38 | None | -8 | 9 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | ||||
| CHEMBL373742 | 3945 | 38 | None | -8 | 9 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | ||||
| DB00067 | 3945 | 38 | None | -8 | 9 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | ||||
| 70689895 | 74490 | 0 | None | - | 1 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 1326 | 27 | 14 | 17 | -0.4 | C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCC/N=C(/N)c1ccc(N=[N+]=[N-])cc1)C(N)=O)N(C)C(=O)[C@H]1CSSCC2(CCCC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00079a020 | ||
| CHEMBL2028983 | 74490 | 0 | None | - | 1 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 1326 | 27 | 14 | 17 | -0.4 | C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCC/N=C(/N)c1ccc(N=[N+]=[N-])cc1)C(N)=O)N(C)C(=O)[C@H]1CSSCC2(CCCC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00079a020 | ||
| 70689895 | 74490 | 0 | None | - | 1 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 1326 | 27 | 14 | 17 | -0.4 | C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCC/N=C(/N)c1ccc(N=[N+]=[N-])cc1)C(N)=O)N(C)C(=O)[C@H]1CSSCC2(CCCC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00079a020 | ||
| CHEMBL2028983 | 74490 | 0 | None | - | 1 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 1326 | 27 | 14 | 17 | -0.4 | C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCC/N=C(/N)c1ccc(N=[N+]=[N-])cc1)C(N)=O)N(C)C(=O)[C@H]1CSSCC2(CCCC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00079a020 | ||
| 145993846 | 167356 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9 | Binding | ChEMBL | 1179 | 19 | 15 | 14 | -6.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[Se][Se]C[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4294901 | 167356 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9 | Binding | ChEMBL | 1179 | 19 | 15 | 14 | -6.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[Se][Se]C[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| 71454576 | 79662 | 0 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 1174 | 20 | 11 | 16 | 0.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115368 | 79662 | 0 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 1174 | 20 | 11 | 16 | 0.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| 71454576 | 79662 | 0 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 1174 | 20 | 11 | 16 | 0.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115368 | 79662 | 0 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 1174 | 20 | 11 | 16 | 0.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| 71454576 | 79662 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1174 | 20 | 11 | 16 | 0.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115368 | 79662 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1174 | 20 | 11 | 16 | 0.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| 71454576 | 79662 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1174 | 20 | 11 | 16 | 0.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115368 | 79662 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1174 | 20 | 11 | 16 | 0.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| 71312201 | 115361 | 12 | None | -1 | 2 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1074 | 19 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350118 | 115361 | 12 | None | -1 | 2 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1074 | 19 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 118718751 | 115364 | 0 | None | 1 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350123 | 115364 | 0 | None | 1 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| 118718384 | 115320 | 0 | None | -7 | 3 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1154 | 18 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349465 | 115320 | 0 | None | -7 | 3 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1154 | 18 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL2372422 | 210221 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | None | None | None | [N-]=[N+]=Nc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC2=O)cc1 | 10.1021/jm00079a020 | ||||
| CHEMBL2372422 | 210221 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | None | None | None | [N-]=[N+]=Nc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC2=O)cc1 | 10.1021/jm00079a020 | ||||
| 136961688 | 118567 | 0 | None | -14 | 3 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1206 | 23 | 5 | 13 | 7.4 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCNC(=O)CCc2ccc(S(=O)(=O)N(CC(=O)N/N=C3\C(=O)Nc4ccccc43)c3ccc(Cl)cc3)cc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| CHEMBL3416750 | 118567 | 0 | None | -14 | 3 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1206 | 23 | 5 | 13 | 7.4 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCNC(=O)CCc2ccc(S(=O)(=O)N(CC(=O)N/N=C3\C(=O)Nc4ccccc43)c3ccc(Cl)cc3)cc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| 118718750 | 115363 | 0 | None | 8 | 2 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350120 | 115363 | 0 | None | 8 | 2 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL2372416 | 210215 | 0 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | None | None | None | CCC1(CC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC1=O | 10.1021/jm00079a020 | ||||
| CHEMBL2372416 | 210215 | 0 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | None | None | None | CCC1(CC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC1=O | 10.1021/jm00079a020 | ||||
| 71449189 | 79661 | 0 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1203 | 22 | 11 | 16 | 1.1 | CCC1(CC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115365 | 79661 | 0 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1203 | 22 | 11 | 16 | 1.1 | CCC1(CC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC1=O | 10.1021/jm00079a020 | ||
| 71449189 | 79661 | 0 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1203 | 22 | 11 | 16 | 1.1 | CCC1(CC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115365 | 79661 | 0 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1203 | 22 | 11 | 16 | 1.1 | CCC1(CC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2372420 | 210219 | 0 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||||
| CHEMBL2372420 | 210219 | 0 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||||
| 118718748 | 115360 | 0 | None | -1 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1126 | 19 | 13 | 14 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350116 | 115360 | 0 | None | -1 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1126 | 19 | 13 | 14 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 10011419 | 115366 | 0 | None | -1 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350125 | 115366 | 0 | None | -1 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 118718386 | 115322 | 0 | None | -12 | 3 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 991 | 14 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349467 | 115322 | 0 | None | -12 | 3 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 991 | 14 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 118718747 | 115359 | 0 | None | -2 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1126 | 19 | 13 | 14 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350115 | 115359 | 0 | None | -2 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1126 | 19 | 13 | 14 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL2372415 | 210214 | 0 | None | - | 1 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C2(CCCC2)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||||
| CHEMBL2372415 | 210214 | 0 | None | - | 1 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C2(CCCC2)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||||
| 118718383 | 115319 | 0 | None | -16 | 3 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349464 | 115319 | 0 | None | -16 | 3 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL2372421 | 210220 | 0 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | None | None | None | [N-]=[N+]=Nc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC2=O)cc1 | 10.1021/jm00079a020 | ||||
| CHEMBL2372421 | 210220 | 0 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | None | None | None | [N-]=[N+]=Nc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC2=O)cc1 | 10.1021/jm00079a020 | ||||
| 10463677 | 115323 | 1 | None | -38 | 3 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 991 | 15 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349468 | 115323 | 1 | None | -38 | 3 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 991 | 15 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL2372414 | 210213 | 0 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C2(CCCC2)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||||
| CHEMBL2372414 | 210213 | 0 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C2(CCCC2)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||||
| 118718385 | 115321 | 0 | None | -251 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349466 | 115321 | 0 | None | -251 | 2 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL2372419 | 210218 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||||
| CHEMBL2372417 | 210216 | 0 | None | - | 1 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||||
| CHEMBL2372417 | 210216 | 0 | None | - | 1 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||||
| CHEMBL2372419 | 210218 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||||
| CHEMBL2372418 | 210217 | 0 | None | - | 1 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||||
| CHEMBL2372418 | 210217 | 0 | None | - | 1 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||||
| 118718753 | 115367 | 0 | None | -1 | 3 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1074 | 18 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350126 | 115367 | 0 | None | -1 | 3 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1074 | 18 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL2370617 | 209864 | 0 | None | -1 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00010a020 | ||||
| CHEMBL2370976 | 209949 | 10 | None | 2 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00010a020 | ||||
| 136961687 | 118566 | 0 | None | -35 | 3 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 1053 | 21 | 7 | 12 | 6.4 | O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCCNC(=O)CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm501395b | ||
| CHEMBL3416749 | 118566 | 0 | None | -35 | 3 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 1053 | 21 | 7 | 12 | 6.4 | O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCCNC(=O)CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm501395b | ||
| 118718752 | 115365 | 0 | None | -1 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350124 | 115365 | 0 | None | -1 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| 70681483 | 74491 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 1183 | 35 | 13 | 14 | -2.0 | CCOc1ccc(C[C@@H](NC(=O)Cc2ccncc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C)cc1 | 10.1021/jm00079a020 | ||
| CHEMBL2028984 | 74491 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 1183 | 35 | 13 | 14 | -2.0 | CCOc1ccc(C[C@@H](NC(=O)Cc2ccncc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C)cc1 | 10.1021/jm00079a020 | ||
| 70681483 | 74491 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 1183 | 35 | 13 | 14 | -2.0 | CCOc1ccc(C[C@@H](NC(=O)Cc2ccncc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C)cc1 | 10.1021/jm00079a020 | ||
| CHEMBL2028984 | 74491 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 1183 | 35 | 13 | 14 | -2.0 | CCOc1ccc(C[C@@H](NC(=O)Cc2ccncc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C)cc1 | 10.1021/jm00079a020 | ||
| 44294474 | 96983 | 0 | None | -1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL266643 | 96983 | 0 | None | -1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 118718749 | 115362 | 0 | None | 1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350119 | 115362 | 0 | None | 1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| 10396464 | 115324 | 1 | None | -8 | 2 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 1154 | 19 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349469 | 115324 | 1 | None | -8 | 2 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 1154 | 19 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 44428111 | 149429 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1127 | 32 | 16 | 14 | -3.6 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1 | 10.1021/jm061404q | ||
| CHEMBL394602 | 149429 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1127 | 32 | 16 | 14 | -3.6 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1 | 10.1021/jm061404q | ||
| 44428111 | 149429 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1127 | 32 | 16 | 14 | -3.6 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1 | 10.1021/jm061404q | ||
| CHEMBL394602 | 149429 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1127 | 32 | 16 | 14 | -3.6 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1 | 10.1021/jm061404q | ||
| 56680285 | 64026 | 0 | None | 37 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 513 | 8 | 2 | 3 | 5.0 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CCCC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807272 | 64026 | 0 | None | 37 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 513 | 8 | 2 | 3 | 5.0 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CCCC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 56676958 | 64021 | 0 | None | 42 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 4.7 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807267 | 64021 | 0 | None | 42 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 4.7 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 44297517 | 155702 | 0 | None | 28 | 3 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1343 | 39 | 15 | 16 | -1.4 | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL405440 | 155702 | 0 | None | 28 | 3 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1343 | 39 | 15 | 16 | -1.4 | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 46890438 | 6554 | 0 | None | 4073 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 347 | 2 | 0 | 1 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083094 | 6554 | 0 | None | 4073 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 347 | 2 | 0 | 1 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 46890485 | 6998 | 0 | None | 7943 | 2 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 361 | 2 | 0 | 1 | 6.0 | Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084823 | 6998 | 0 | None | 7943 | 2 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 361 | 2 | 0 | 1 | 6.0 | Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1C | 10.1016/j.bmcl.2010.04.068 | ||
| 44275525 | 194843 | 0 | None | 16 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21 | 10.1021/jm9804782 | ||
| 91931055 | 194843 | 0 | None | 16 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21 | 10.1021/jm9804782 | ||
| CHEMBL540192 | 194843 | 0 | None | 16 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21 | 10.1021/jm9804782 | ||
| 44275104 | 97258 | 0 | None | 33 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1127 | 32 | 14 | 14 | -3.9 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL269012 | 97258 | 0 | None | 33 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1127 | 32 | 14 | 14 | -3.9 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| 44428107 | 10285 | 0 | None | 11 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 2058 | 46 | 18 | 25 | 6.0 | CC1CC(C)(C)Nc2c1cc1c(c2S(=O)(=O)O)OC2C(=C1c1c(Cl)c(SCC(=O)NCCCCCC(=O)N(C(=O)[C@H]3CCN(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](Cc4ccc(O)cc4)N(C)C(=O)CCc4ccc(O)cc4)C3)[C@@H](CCCCN)C(N)=O)c(Cl)c(Cl)c1C(=O)O)CC1C(=NC(C)(C)CC1C)C2S(=O)(=O)O | 10.1021/jm061404q | ||
| 91935616 | 10285 | 0 | None | 11 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 2058 | 46 | 18 | 25 | 6.0 | CC1CC(C)(C)Nc2c1cc1c(c2S(=O)(=O)O)OC2C(=C1c1c(Cl)c(SCC(=O)NCCCCCC(=O)N(C(=O)[C@H]3CCN(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](Cc4ccc(O)cc4)N(C)C(=O)CCc4ccc(O)cc4)C3)[C@@H](CCCCN)C(N)=O)c(Cl)c(Cl)c1C(=O)O)CC1C(=NC(C)(C)CC1C)C2S(=O)(=O)O | 10.1021/jm061404q | ||
| CHEMBL1161978 | 10285 | 0 | None | 11 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 2058 | 46 | 18 | 25 | 6.0 | CC1CC(C)(C)Nc2c1cc1c(c2S(=O)(=O)O)OC2C(=C1c1c(Cl)c(SCC(=O)NCCCCCC(=O)N(C(=O)[C@H]3CCN(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](Cc4ccc(O)cc4)N(C)C(=O)CCc4ccc(O)cc4)C3)[C@@H](CCCCN)C(N)=O)c(Cl)c(Cl)c1C(=O)O)CC1C(=NC(C)(C)CC1C)C2S(=O)(=O)O | 10.1021/jm061404q | ||
| 56680284 | 64024 | 0 | None | 21 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 515 | 8 | 2 | 3 | 5.1 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807270 | 64024 | 0 | None | 21 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 515 | 8 | 2 | 3 | 5.1 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 46890709 | 6805 | 0 | None | 6025 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.9 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c[nH]c2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084008 | 6805 | 0 | None | 6025 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.9 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c[nH]c2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 44314134 | 104765 | 0 | None | 331 | 2 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 576 | 5 | 1 | 5 | 5.5 | Cc1occc1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C/C(=O)N3CCC(N(C)C)CC3)c3ccccc32)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL310921 | 104765 | 0 | None | 331 | 2 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 576 | 5 | 1 | 5 | 5.5 | Cc1occc1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C/C(=O)N3CCC(N(C)C)CC3)c3ccccc32)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| 44297505 | 165833 | 0 | None | 7 | 3 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL424905 | 165833 | 0 | None | 7 | 3 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 44297516 | 161267 | 0 | None | 22 | 3 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL412192 | 161267 | 0 | None | 22 | 3 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 44297525 | 96780 | 0 | None | 10 | 3 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL265048 | 96780 | 0 | None | 10 | 3 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 2213 | 517 | 46 | None | 28 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 3008 | 517 | 46 | None | 28 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 5311010 | 517 | 46 | None | 28 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| CHEMBL382301 | 517 | 46 | None | 28 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| DB09059 | 517 | 46 | None | 28 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 2205 | 4092 | 6 | None | 1 | 5 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1021/jm010544r | ||
| 9810140 | 4092 | 6 | None | 1 | 5 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1021/jm010544r | ||
| CHEMBL307483 | 4092 | 6 | None | 1 | 5 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1021/jm010544r | ||
| 44297525 | 96780 | 0 | None | 10 | 3 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL265048 | 96780 | 0 | None | 10 | 3 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 44275524 | 161269 | 0 | None | 9 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| 91931053 | 161269 | 0 | None | 9 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL412210 | 161269 | 0 | None | 9 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| 44275467 | 167704 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)cc21 | 10.1021/jm9804782 | ||
| 91931056 | 167704 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)cc21 | 10.1021/jm9804782 | ||
| CHEMBL430272 | 167704 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)cc21 | 10.1021/jm9804782 | ||
| 44400427 | 159785 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1469 | 40 | 15 | 16 | -0.9 | COc1ccc(C[C@@H](NC(=O)CCCc2ccc(N=[N+]=[N-])cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 | 10.1021/jm040871+ | ||
| CHEMBL410567 | 159785 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1469 | 40 | 15 | 16 | -0.9 | COc1ccc(C[C@@H](NC(=O)CCCc2ccc(N=[N+]=[N-])cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 | 10.1021/jm040871+ | ||
| 44297517 | 155702 | 0 | None | 28 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1343 | 39 | 15 | 16 | -1.4 | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL405440 | 155702 | 0 | None | 28 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1343 | 39 | 15 | 16 | -1.4 | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 56680283 | 64020 | 0 | None | 44 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 475 | 8 | 2 | 3 | 4.3 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807266 | 64020 | 0 | None | 44 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 475 | 8 | 2 | 3 | 4.3 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 44428537 | 152546 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 789 | 12 | 1 | 6 | 6.6 | O=C(NCc1cccc(C(F)(F)F)c1F)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL397179 | 152546 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 789 | 12 | 1 | 6 | 6.6 | O=C(NCc1cccc(C(F)(F)F)c1F)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 145981307 | 166653 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1141 | 34 | 16 | 14 | -3.1 | COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4281963 | 166653 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1141 | 34 | 16 | 14 | -3.1 | COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| 44297505 | 165833 | 0 | None | 7 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL424905 | 165833 | 0 | None | 7 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 44297516 | 161267 | 0 | None | 22 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL412192 | 161267 | 0 | None | 22 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 56663273 | 64036 | 0 | None | 28 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCCC1O | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807281 | 64036 | 0 | None | 28 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCCC1O | 10.1016/j.bmcl.2011.05.092 | ||
| 44428111 | 149429 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1127 | 32 | 16 | 14 | -3.6 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1 | 10.1021/jm061404q | ||
| CHEMBL394602 | 149429 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1127 | 32 | 16 | 14 | -3.6 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1 | 10.1021/jm061404q | ||
| 44428111 | 149429 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1127 | 32 | 16 | 14 | -3.6 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1 | 10.1021/jm061404q | ||
| CHEMBL394602 | 149429 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1127 | 32 | 16 | 14 | -3.6 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1 | 10.1021/jm061404q | ||
| 44274848 | 167411 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| 91931059 | 167411 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL429725 | 167411 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| 54584254 | 61880 | 0 | None | 93 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 459 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.02.096 | ||
| 54584254 | 61880 | 0 | None | 93 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 459 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1774023 | 61880 | 0 | None | 93 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 459 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774023 | 61880 | 0 | None | 93 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 459 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.05.092 | ||
| 53364234 | 64027 | 0 | None | 9 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 485 | 8 | 2 | 3 | 4.2 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807273 | 64027 | 0 | None | 9 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 485 | 8 | 2 | 3 | 4.2 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 44297449 | 169236 | 0 | None | 1 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL441195 | 169236 | 0 | None | 1 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 56683606 | 64025 | 0 | None | 19 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 499 | 8 | 2 | 3 | 4.6 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CCC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807271 | 64025 | 0 | None | 19 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 499 | 8 | 2 | 3 | 4.6 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CCC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 44428516 | 161145 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.4 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL411757 | 161145 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.4 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44297525 | 96780 | 0 | None | 10 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL265048 | 96780 | 0 | None | 10 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 44428111 | 149429 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1127 | 32 | 16 | 14 | -3.6 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1 | 10.1021/jm061404q | ||
| CHEMBL394602 | 149429 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1127 | 32 | 16 | 14 | -3.6 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1 | 10.1021/jm061404q | ||
| 44428550 | 150938 | 18 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 703 | 11 | 1 | 6 | 5.6 | C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL395817 | 150938 | 18 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 703 | 11 | 1 | 6 | 5.6 | C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 2204 | 4086 | 5 | None | 229 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 10.1021/acs.jmedchem.8b00697 | ||
| 9917025 | 4086 | 5 | None | 229 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3307200 | 4086 | 5 | None | 229 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL5070075 | 214203 | 0 | None | 660 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | O[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||||
| CHEMBL5070261 | 214206 | 0 | None | 1548 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | OC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||||
| CHEMBL5074709 | 214304 | 0 | None | 2951 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | O[C@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||||
| 46890440 | 7319 | 0 | None | 173 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 381 | 2 | 0 | 1 | 6.4 | Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086272 | 7319 | 0 | None | 173 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 381 | 2 | 0 | 1 | 6.4 | Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 44297449 | 169236 | 0 | None | 1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL441195 | 169236 | 0 | None | 1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 46890612 | 6872 | 0 | None | 81 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 5.4 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(NC(C)=O)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084325 | 6872 | 0 | None | 81 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 5.4 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(NC(C)=O)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 56670128 | 64032 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 3.2 | CC(CCO)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807278 | 64032 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 3.2 | CC(CCO)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| 44428538 | 160444 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.7 | O=C(NCc1cccc(Cl)c1Cl)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL411179 | 160444 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.7 | O=C(NCc1cccc(Cl)c1Cl)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL2370569 | 209848 | 23 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | COc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1016/j.ejmech.2013.01.044 | ||||
| CHEMBL5081323 | 214720 | 0 | None | 2691 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | Cc1ccc2c(c1)CC(O)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c00863 | ||||
| 145986380 | 167069 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -3.8 | COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2C[Se]C[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4289837 | 167069 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -3.8 | COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2C[Se]C[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| 44428540 | 152556 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 789 | 12 | 1 | 6 | 6.6 | O=C(NCc1cc(C(F)(F)F)ccc1F)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL397185 | 152556 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 789 | 12 | 1 | 6 | 6.6 | O=C(NCc1cc(C(F)(F)F)ccc1F)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 151171 | 1155 | 50 | None | -3 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 216322 | 1155 | 50 | None | -3 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 2203 | 1155 | 50 | None | -3 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 732 | 1155 | 50 | None | -3 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1755 | 1155 | 50 | None | -3 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| DB00872 | 1155 | 50 | None | -3 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 162658238 | 180982 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 369 | 2 | 0 | 5 | 3.5 | C#Cc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4759005 | 180982 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 369 | 2 | 0 | 5 | 3.5 | C#Cc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 44428518 | 152277 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 785 | 13 | 1 | 6 | 6.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(CC2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL396954 | 152277 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 785 | 13 | 1 | 6 | 6.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(CC2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44297517 | 155702 | 0 | None | 28 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1343 | 39 | 15 | 16 | -1.4 | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL405440 | 155702 | 0 | None | 28 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1343 | 39 | 15 | 16 | -1.4 | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 44297505 | 165833 | 0 | None | 7 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL424905 | 165833 | 0 | None | 7 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 151171 | 1155 | 50 | None | 1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 216322 | 1155 | 50 | None | 1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 2203 | 1155 | 50 | None | 1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 732 | 1155 | 50 | None | 1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL1755 | 1155 | 50 | None | 1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| DB00872 | 1155 | 50 | None | 1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 59657523 | 118636 | 0 | None | 28 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 451 | 3 | 0 | 4 | 4.0 | CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| CHEMBL3416881 | 118636 | 0 | None | 28 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 451 | 3 | 0 | 4 | 4.0 | CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| 44428541 | 149786 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 789 | 12 | 1 | 6 | 6.6 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL394866 | 149786 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 789 | 12 | 1 | 6 | 6.6 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 56666701 | 64022 | 0 | None | 26 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 497 | 9 | 2 | 4 | 4.1 | COc1ccc(C[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C(=O)N[C@H]2CC[C@H](N(C)C)CC2)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807268 | 64022 | 0 | None | 26 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 497 | 9 | 2 | 4 | 4.1 | COc1ccc(C[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C(=O)N[C@H]2CC[C@H](N(C)C)CC2)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/acs.jmedchem.8b01320 | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/acs.jmedchem.8b01320 | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/acs.jmedchem.8b01320 | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/acs.jmedchem.8b01320 | ||
| 46890528 | 7000 | 0 | None | 199 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084825 | 7000 | 0 | None | 199 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| 56680282 | 64013 | 0 | None | 21 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 490 | 10 | 2 | 4 | 3.0 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807259 | 64013 | 0 | None | 21 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 490 | 10 | 2 | 4 | 3.0 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 54586172 | 61881 | 0 | None | 7 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 485 | 7 | 3 | 3 | 4.2 | O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774024 | 61881 | 0 | None | 7 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 485 | 7 | 3 | 3 | 4.2 | O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| 44297516 | 161267 | 0 | None | 22 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL412192 | 161267 | 0 | None | 22 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 46890530 | 6704 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 3 | 0 | 2 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c(C)cccc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083731 | 6704 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 3 | 0 | 2 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c(C)cccc1C | 10.1016/j.bmcl.2010.04.068 | ||
| 162655262 | 180722 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 2 | 0 | 5 | 5.3 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Br)cc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4756031 | 180722 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 2 | 0 | 5 | 5.3 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Br)cc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| 162655954 | 180743 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 465 | 3 | 0 | 3 | 5.3 | Cc1ccccc1N1CCN(C(=O)N2C[C@@H](C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4756212 | 180743 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 465 | 3 | 0 | 3 | 5.3 | Cc1ccccc1N1CCN(C(=O)N2C[C@@H](C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162643927 | 181783 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 466 | 2 | 0 | 3 | 4.2 | Cc1ccccc1N1CCN(C(=O)N2C[C@@H](C(=O)N3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4778087 | 181783 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 466 | 2 | 0 | 3 | 4.2 | Cc1ccccc1N1CCN(C(=O)N2C[C@@H](C(=O)N3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127417 | ||
| 162676448 | 183459 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 438 | 3 | 0 | 5 | 5.0 | Brc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4799412 | 183459 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 438 | 3 | 0 | 5 | 5.0 | Brc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 57391220 | 70169 | 0 | None | 1862 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 721 | 11 | 1 | 6 | 5.7 | C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1cccc(F)c1)c1ccccc1 | 10.1016/j.bmc.2011.12.013 | ||
| CHEMBL1940587 | 70169 | 0 | None | 1862 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 721 | 11 | 1 | 6 | 5.7 | C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1cccc(F)c1)c1ccccc1 | 10.1016/j.bmc.2011.12.013 | ||
| 56663268 | 64010 | 0 | None | 95 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 447 | 7 | 3 | 3 | 3.5 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCNCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807256 | 64010 | 0 | None | 95 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 447 | 7 | 3 | 3 | 3.5 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCNCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 2205 | 4092 | 6 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1021/jm010544r | ||
| 9810140 | 4092 | 6 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1021/jm010544r | ||
| CHEMBL307483 | 4092 | 6 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1021/jm010544r | ||
| 2205 | 4092 | 6 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1016/s0960-894x(01)00723-5 | ||
| 9810140 | 4092 | 6 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL307483 | 4092 | 6 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1016/s0960-894x(01)00723-5 | ||
| 2213 | 517 | 46 | None | 28 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 3008 | 517 | 46 | None | 28 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 5311010 | 517 | 46 | None | 28 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| CHEMBL382301 | 517 | 46 | None | 28 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| DB09059 | 517 | 46 | None | 28 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 57394727 | 70170 | 0 | None | 2041 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 717 | 11 | 1 | 6 | 5.9 | Cc1cccc(/C=C/[C@@H]2[C@H](N3C(=O)OC[C@@H]3c3ccccc3)C(=O)N2[C@H](CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)N[C@H](C)c2ccccc2)c1 | 10.1016/j.bmc.2011.12.013 | ||
| CHEMBL1940588 | 70170 | 0 | None | 2041 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 717 | 11 | 1 | 6 | 5.9 | Cc1cccc(/C=C/[C@@H]2[C@H](N3C(=O)OC[C@@H]3c3ccccc3)C(=O)N2[C@H](CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)N[C@H](C)c2ccccc2)c1 | 10.1016/j.bmc.2011.12.013 | ||
| 135413562 | 2193 | 15 | None | -16 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| 2194 | 2193 | 15 | None | -16 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| CHEMBL445816 | 2193 | 15 | None | -16 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| 11686429 | 98882 | 7 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 771 | 11 | 0 | 6 | 6.4 | CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL279328 | 98882 | 7 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 771 | 11 | 0 | 6 | 6.4 | CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44428542 | 171711 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 737 | 12 | 1 | 6 | 6.1 | O=C(NCc1cccc(Cl)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL446720 | 171711 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 737 | 12 | 1 | 6 | 6.1 | O=C(NCc1cccc(Cl)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 56676960 | 64033 | 0 | None | 75 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCC(O)C1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807279 | 64033 | 0 | None | 75 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCC(O)C1 | 10.1016/j.bmcl.2011.05.092 | ||
| 145993846 | 167356 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1179 | 19 | 15 | 14 | -6.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[Se][Se]C[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4294901 | 167356 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1179 | 19 | 15 | 14 | -6.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[Se][Se]C[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 10615 | 570 | 32 | None | -501 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1021/acs.jmedchem.1c00863 | ||
| 46200932 | 570 | 32 | None | -501 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL4297183 | 570 | 32 | None | -501 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1021/acs.jmedchem.1c00863 | ||
| DB14823 | 570 | 32 | None | -501 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1021/acs.jmedchem.1c00863 | ||
| 10615 | 570 | 32 | None | -501 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| 10615 | 570 | 32 | None | -501 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127417 | ||
| 46200932 | 570 | 32 | None | -501 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| 46200932 | 570 | 32 | None | -501 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4297183 | 570 | 32 | None | -501 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4297183 | 570 | 32 | None | -501 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127417 | ||
| DB14823 | 570 | 32 | None | -501 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| DB14823 | 570 | 32 | None | -501 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1016/j.bmcl.2020.127417 | ||
| 162648487 | 179939 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 423 | 2 | 0 | 5 | 4.3 | Brc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4746716 | 179939 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 423 | 2 | 0 | 5 | 4.3 | Brc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 162655215 | 180785 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 382 | 2 | 0 | 5 | 5.1 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4756737 | 180785 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 382 | 2 | 0 | 5 | 5.1 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 46890101 | 7271 | 0 | None | 181 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 414 | 3 | 0 | 3 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2cccnc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086070 | 7271 | 0 | None | 181 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 414 | 3 | 0 | 3 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2cccnc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 2253 | 2219 | 20 | None | 5 | 6 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| 5311202 | 2219 | 20 | None | 5 | 6 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| CHEMBL306645 | 2219 | 20 | None | 5 | 6 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| 46890707 | 6695 | 0 | None | 19 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 419 | 3 | 0 | 3 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1csc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083703 | 6695 | 0 | None | 19 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 419 | 3 | 0 | 3 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1csc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 162676461 | 183488 | 0 | None | 707 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c01215 | ||
| CHEMBL4799793 | 183488 | 0 | None | 707 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c01215 | ||
| 44400408 | 96674 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1474 | 38 | 15 | 15 | -1.4 | NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O | 10.1021/jm040871+ | ||
| 91936749 | 96674 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1474 | 38 | 15 | 15 | -1.4 | NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O | 10.1021/jm040871+ | ||
| CHEMBL264101 | 96674 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1474 | 38 | 15 | 15 | -1.4 | NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O | 10.1021/jm040871+ | ||
| 46890654 | 7099 | 0 | None | 707 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(C)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085299 | 7099 | 0 | None | 707 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(C)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 44275447 | 96394 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1111 | 32 | 13 | 13 | -3.6 | CN(C(=O)Cc1ccccc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL262035 | 96394 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1111 | 32 | 13 | 13 | -3.6 | CN(C(=O)Cc1ccccc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| 145981307 | 166653 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1141 | 34 | 16 | 14 | -3.1 | COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4281963 | 166653 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1141 | 34 | 16 | 14 | -3.1 | COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| 162676461 | 183488 | 0 | None | 707 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL4799793 | 183488 | 0 | None | 707 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c00863 | ||
| 162676461 | 183488 | 0 | None | 707 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4799793 | 183488 | 0 | None | 707 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 44428543 | 168862 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 739 | 12 | 1 | 6 | 5.7 | O=C(NCc1cc(F)cc(F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL438319 | 168862 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 739 | 12 | 1 | 6 | 5.7 | O=C(NCc1cc(F)cc(F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 145981637 | 166469 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -4.3 | COc1ccc(C[C@@H](NC(=O)C[Se]c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4278500 | 166469 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -4.3 | COc1ccc(C[C@@H](NC(=O)C[Se]c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| 145986380 | 167069 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -3.8 | COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2C[Se]C[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4289837 | 167069 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -3.8 | COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2C[Se]C[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| 162671049 | 182796 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 703 | 11 | 1 | 6 | 5.6 | C[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4790970 | 182796 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 703 | 11 | 1 | 6 | 5.6 | C[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2020.127416 | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/acs.jmedchem.8b01320 | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/acs.jmedchem.8b01320 | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/acs.jmedchem.8b01320 | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/acs.jmedchem.8b01320 | ||
| 44428544 | 149787 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.4 | O=C(NCc1ccccc1C(F)(F)F)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL394867 | 149787 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.4 | O=C(NCc1ccccc1C(F)(F)F)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 59657596 | 118640 | 31 | None | 16 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/acs.jmedchem.6b01437 | ||
| CHEMBL3416885 | 118640 | 31 | None | 16 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/acs.jmedchem.6b01437 | ||
| 59657616 | 118623 | 0 | None | 40 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 506 | 3 | 0 | 5 | 3.7 | CN1CCN(C(=O)Cn2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416868 | 118623 | 0 | None | 40 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 506 | 3 | 0 | 5 | 3.7 | CN1CCN(C(=O)Cn2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 | 10.1021/jm501745f | ||
| 11993729 | 118638 | 0 | None | 12 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 463 | 3 | 0 | 4 | 5.1 | CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| CHEMBL3416883 | 118638 | 0 | None | 12 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 463 | 3 | 0 | 4 | 5.1 | CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| 59657596 | 118640 | 31 | None | 16 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| CHEMBL3416885 | 118640 | 31 | None | 16 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| 162658180 | 181037 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 466 | 2 | 0 | 3 | 4.9 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4759676 | 181037 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 466 | 2 | 0 | 3 | 4.9 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 10304617 | 206204 | 0 | None | 32 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 625 | 8 | 0 | 6 | 7.9 | Cc1cccc(OCc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL86667 | 206204 | 0 | None | 32 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 625 | 8 | 0 | 6 | 7.9 | Cc1cccc(OCc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| 46890572 | 7326 | 0 | None | 1148 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 4.8 | CNC(=O)c1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2OC)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086294 | 7326 | 0 | None | 1148 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 4.8 | CNC(=O)c1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2OC)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 15416418 | 157115 | 0 | None | 8 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4075127 | 157115 | 0 | None | 8 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 10164478 | 206662 | 0 | None | 16 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 509 | 11 | 0 | 6 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL89552 | 206662 | 0 | None | 16 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 509 | 11 | 0 | 6 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 10303620 | 206253 | 0 | None | 9 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 577 | 12 | 0 | 6 | 7.8 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCC(N2CCCCC2)CC1 | 10.1021/jm010544r | ||
| CHEMBL86949 | 206253 | 0 | None | 9 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 577 | 12 | 0 | 6 | 7.8 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCC(N2CCCCC2)CC1 | 10.1021/jm010544r | ||
| 46890055 | 6419 | 0 | None | 2290 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 398 | 3 | 0 | 3 | 5.5 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccnc1Cl | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1082493 | 6419 | 0 | None | 2290 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 398 | 3 | 0 | 3 | 5.5 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccnc1Cl | 10.1016/j.bmcl.2010.04.068 | ||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 57399933 | 70168 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 829 | 11 | 1 | 6 | 6.2 | C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1cccc(I)c1)c1ccccc1 | 10.1016/j.bmc.2011.12.013 | ||
| CHEMBL1940586 | 70168 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 829 | 11 | 1 | 6 | 6.2 | C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1cccc(I)c1)c1ccccc1 | 10.1016/j.bmc.2011.12.013 | ||
| 44297449 | 169236 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL441195 | 169236 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 56683607 | 64028 | 0 | None | 61 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 459 | 8 | 2 | 3 | 3.7 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807274 | 64028 | 0 | None | 61 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 459 | 8 | 2 | 3 | 3.7 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 44428492 | 149742 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 780 | 12 | 2 | 6 | 6.2 | NC1CC[N+](Cc2ccccc2)(C(=O)C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL394829 | 149742 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 780 | 12 | 2 | 6 | 6.2 | NC1CC[N+](Cc2ccccc2)(C(=O)C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| 44428569 | 152352 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 775 | 11 | 1 | 6 | 6.2 | O=C(NCc1cccc(C(F)(F)F)c1F)[C@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL397025 | 152352 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 775 | 11 | 1 | 6 | 6.2 | O=C(NCc1cccc(C(F)(F)F)c1F)[C@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 24896178 | 91990 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)C(C(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL241826 | 91990 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)C(C(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44428520 | 166443 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 793 | 14 | 1 | 6 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(CCc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL427810 | 166443 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 793 | 14 | 1 | 6 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(CCc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44428529 | 152278 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 731 | 13 | 1 | 6 | 5.5 | CCCN1CCN(C(=O)CC[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL396955 | 152278 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 731 | 13 | 1 | 6 | 5.5 | CCCN1CCN(C(=O)CC[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| 44428551 | 93037 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 771 | 11 | 1 | 6 | 6.6 | C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL244243 | 93037 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 771 | 11 | 1 | 6 | 6.6 | C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2006.12.031 | ||
| 44275137 | 157217 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)ccc21 | 10.1021/jm9804782 | ||
| 91931058 | 157217 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)ccc21 | 10.1021/jm9804782 | ||
| CHEMBL407644 | 157217 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)ccc21 | 10.1021/jm9804782 | ||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 56680285 | 64026 | 0 | None | -37 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 513 | 8 | 2 | 3 | 5.0 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CCCC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807272 | 64026 | 0 | None | -37 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 513 | 8 | 2 | 3 | 5.0 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CCCC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 162660856 | 181845 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 379 | 2 | 0 | 5 | 4.2 | Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c01215 | ||
| CHEMBL4778839 | 181845 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 379 | 2 | 0 | 5 | 4.2 | Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c01215 | ||
| 57978135 | 118637 | 0 | None | 89 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 449 | 3 | 1 | 4 | 4.7 | O=C(c1cn(C[C@@H]2CCCN2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| CHEMBL3416882 | 118637 | 0 | None | 89 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 449 | 3 | 1 | 4 | 4.7 | O=C(c1cn(C[C@@H]2CCCN2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| 162652318 | 180298 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 356 | 2 | 1 | 4 | 3.4 | O=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4751140 | 180298 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 356 | 2 | 1 | 4 | 3.4 | O=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127417 | ||
| 162660856 | 181845 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 379 | 2 | 0 | 5 | 4.2 | Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4778839 | 181845 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 379 | 2 | 0 | 5 | 4.2 | Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 71461726 | 79663 | 0 | None | 257 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1186 | 20 | 11 | 15 | 0.9 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00079a020 | ||
| CHEMBL2115369 | 79663 | 0 | None | 257 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1186 | 20 | 11 | 15 | 0.9 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00079a020 | ||
| 2200 | 3286 | 46 | None | -1 | 6 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| 3482 | 3286 | 46 | None | -1 | 6 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| 60943 | 3286 | 46 | None | -1 | 6 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| CHEMBL419667 | 3286 | 46 | None | -1 | 6 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| DB13929 | 3286 | 46 | None | -1 | 6 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| 44428522 | 160989 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.4 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL411629 | 160989 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.4 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 10208389 | 78602 | 0 | None | 70 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 523 | 11 | 0 | 6 | 6.4 | Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL2112339 | 78602 | 0 | None | 70 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 523 | 11 | 0 | 6 | 6.4 | Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm061404q | ||
| 11513323 | 142863 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 757 | 11 | 1 | 6 | 6.0 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL389359 | 142863 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 757 | 11 | 1 | 6 | 6.0 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL2369839 | 209681 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 2168 | 3945 | 38 | None | -8 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 2810 | 3945 | 38 | None | -8 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 644077 | 3945 | 38 | None | -8 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| CHEMBL373742 | 3945 | 38 | None | -8 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| DB00067 | 3945 | 38 | None | -8 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 10715974 | 11890 | 0 | None | 4 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL118271 | 11890 | 0 | None | 4 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 162667087 | 182415 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 348 | 2 | 0 | 5 | 4.5 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4786172 | 182415 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 348 | 2 | 0 | 5 | 4.5 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| 54587189 | 61879 | 0 | None | 33 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 499 | 7 | 2 | 3 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c3ccc(Cl)cc3)CC1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774022 | 61879 | 0 | None | 33 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 499 | 7 | 2 | 3 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c3ccc(Cl)cc3)CC1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 56676958 | 64021 | 0 | None | -42 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 4.7 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807267 | 64021 | 0 | None | -42 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 4.7 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 70685417 | 73620 | 0 | None | 5 | 4 | Prairie vole | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C/I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017867 | 73620 | 0 | None | 5 | 4 | Prairie vole | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C/I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 145993846 | 167356 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1179 | 19 | 15 | 14 | -6.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[Se][Se]C[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4294901 | 167356 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1179 | 19 | 15 | 14 | -6.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[Se][Se]C[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| 56666703 | 64035 | 0 | None | 72 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H]1CC[C@@H](O)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807280 | 64035 | 0 | None | 72 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H]1CC[C@@H](O)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 15416417 | 159719 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4104877 | 159719 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 15976308 | 149744 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 757 | 11 | 1 | 6 | 6.0 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL394830 | 149744 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 757 | 11 | 1 | 6 | 6.0 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 71458135 | 79660 | 0 | None | 123 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1171 | 20 | 11 | 15 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115364 | 79660 | 0 | None | 123 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1171 | 20 | 11 | 15 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| 44428531 | 169012 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 785 | 13 | 1 | 6 | 6.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCC(CN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL439462 | 169012 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 785 | 13 | 1 | 6 | 6.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCC(CN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 54581530 | 62351 | 0 | None | -331 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 666 | 9 | 0 | 8 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779409 | 62351 | 0 | None | -331 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 666 | 9 | 0 | 8 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 24894462 | 152559 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 745 | 14 | 1 | 6 | 5.9 | CCCCN1CCN(C(=O)CC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL397186 | 152559 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 745 | 14 | 1 | 6 | 5.9 | CCCCN1CCN(C(=O)CC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| 16051933 | 138105 | 4 | None | -53 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL376685 | 138105 | 4 | None | -53 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 56673645 | 64012 | 0 | None | 17 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 447 | 7 | 2 | 3 | 3.5 | CN1CCC(NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807258 | 64012 | 0 | None | 17 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 447 | 7 | 2 | 3 | 3.5 | CN1CCC(NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 162670083 | 182725 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 380 | 2 | 0 | 5 | 5.2 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3C3CC43)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4790066 | 182725 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 380 | 2 | 0 | 5 | 5.2 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3C3CC43)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| 2181 | 1319 | 42 | None | -645 | 7 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 2182 | 1319 | 42 | None | -645 | 7 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 27991 | 1319 | 42 | None | -645 | 7 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| CHEMBL1429 | 1319 | 42 | None | -645 | 7 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| CHEMBL264448 | 1319 | 42 | None | -645 | 7 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| DB00035 | 1319 | 42 | None | -645 | 7 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 44325345 | 111535 | 0 | None | -75 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 493 | 3 | 1 | 4 | 4.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL328079 | 111535 | 0 | None | -75 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 493 | 3 | 1 | 4 | 4.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 16109440 | 161592 | 0 | None | -3981 | 4 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 997 | 16 | 11 | 14 | -2.3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL412973 | 161592 | 0 | None | -3981 | 4 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 997 | 16 | 11 | 14 | -2.3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 54584478 | 62348 | 0 | None | -1258 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 666 | 9 | 0 | 8 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccc(CN4CCCC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779406 | 62348 | 0 | None | -1258 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 666 | 9 | 0 | 8 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccc(CN4CCCC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 15951937 | 118617 | 0 | None | -251 | 3 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 366 | 1 | 1 | 2 | 4.5 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| CHEMBL3416861 | 118617 | 0 | None | -251 | 3 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 366 | 1 | 1 | 2 | 4.5 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| 24997177 | 118625 | 0 | None | -204 | 2 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12 | 10.1021/jm501745f | ||
| CHEMBL3416870 | 118625 | 0 | None | -204 | 2 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12 | 10.1021/jm501745f | ||
| 10208389 | 78602 | 0 | None | -70 | 4 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 523 | 11 | 0 | 6 | 6.4 | Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL2112339 | 78602 | 0 | None | -70 | 4 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 523 | 11 | 0 | 6 | 6.4 | Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| 448537 | 160226 | 89 | None | -45 | 25 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL411 | 160226 | 89 | None | -45 | 25 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| 46890054 | 6887 | 0 | None | 19 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 443 | 4 | 0 | 3 | 6.6 | COc1ccc2cc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3OC)ccc2c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084386 | 6887 | 0 | None | 19 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 443 | 4 | 0 | 3 | 6.6 | COc1ccc2cc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3OC)ccc2c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 145959348 | 161961 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 566 | 8 | 1 | 8 | 5.0 | COc1cc(CN2CCN(c3ccccc3CCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL4159182 | 161961 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 566 | 8 | 1 | 8 | 5.0 | COc1cc(CN2CCN(c3ccccc3CCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| 56664849 | 63194 | 0 | None | -426 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1308 | 18 | 14 | 20 | 0.2 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790721 | 63194 | 0 | None | -426 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1308 | 18 | 14 | 20 | 0.2 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| 145977918 | 163872 | 1 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 308 | 2 | 1 | 2 | 3.6 | CC(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4207120 | 163872 | 1 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 308 | 2 | 1 | 2 | 3.6 | CC(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 54581266 | 61859 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 481 | 10 | 2 | 5 | 2.8 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCCN(C)C)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774002 | 61859 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 481 | 10 | 2 | 5 | 2.8 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCCN(C)C)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 46890484 | 6997 | 0 | None | 93 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 381 | 2 | 0 | 1 | 6.4 | Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084822 | 6997 | 0 | None | 93 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 381 | 2 | 0 | 1 | 6.4 | Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL5071635 | 214242 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | Cc1cccc2c1-n1c(nnc1[C@H]1CC[C@H](Oc3ccccn3)CC1)C[C@H](O)C2 | 10.1021/acs.jmedchem.1c00863 | ||||
| 118734429 | 118639 | 0 | None | -2 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 463 | 2 | 0 | 4 | 5.2 | CN1CCC(n2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416884 | 118639 | 0 | None | -2 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 463 | 2 | 0 | 4 | 5.2 | CN1CCC(n2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 | 10.1021/jm501745f | ||
| 44419025 | 84267 | 0 | None | -45 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL221436 | 84267 | 0 | None | -45 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 56657868 | 63191 | 0 | None | -69 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1297 | 16 | 15 | 21 | -0.8 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790719 | 63191 | 0 | None | -69 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1297 | 16 | 15 | 21 | -0.8 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| 2249 | 2215 | 18 | None | -30 | 6 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| 9872389 | 2215 | 18 | None | -30 | 6 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| CHEMBL1253853 | 2215 | 18 | None | -30 | 6 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| 44325579 | 111900 | 0 | None | -33 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 535 | 4 | 2 | 5 | 5.9 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(O)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL328791 | 111900 | 0 | None | -33 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 535 | 4 | 2 | 5 | 5.9 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(O)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325558 | 112542 | 0 | None | -1096 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1cccc(O)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL330094 | 112542 | 0 | None | -1096 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1cccc(O)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 135461396 | 79036 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 626 | 13 | 2 | 8 | 2.2 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)N(CC(N)=O)c3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113196 | 79036 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 626 | 13 | 2 | 8 | 2.2 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)N(CC(N)=O)c3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 46890185 | 7171 | 0 | None | -5 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 549 | 3 | 0 | 2 | 10.1 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4csc5ccccc45)c4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085624 | 7171 | 0 | None | -5 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 549 | 3 | 0 | 2 | 10.1 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4csc5ccccc45)c4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 54581267 | 61861 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 507 | 8 | 2 | 5 | 3.4 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NC2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774004 | 61861 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 507 | 8 | 2 | 5 | 3.4 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NC2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 11683187 | 199909 | 44 | None | -117 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/jm901812z | ||
| CHEMBL594828 | 199909 | 44 | None | -117 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/jm901812z | ||
| 45483204 | 197864 | 0 | None | -11 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204126 | 197864 | 0 | None | -11 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204403 | 197864 | 0 | None | -11 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572709 | 197864 | 0 | None | -11 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 135506374 | 137875 | 23 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763342 | 137875 | 23 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| 135506374 | 137875 | 23 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 137875 | 23 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 56666702 | 64031 | 0 | None | -57 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 3.2 | CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807277 | 64031 | 0 | None | -57 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 3.2 | CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| 44314536 | 204977 | 0 | None | 1 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 620 | 8 | 1 | 6 | 7.0 | Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2Oc2ccccc2C(=O)N2CCC(N3CCCCC3)CC2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL76763 | 204977 | 0 | None | 1 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 620 | 8 | 1 | 6 | 7.0 | Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2Oc2ccccc2C(=O)N2CCC(N3CCCCC3)CC2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| 44400360 | 169008 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1519 | 40 | 15 | 17 | -1.1 | COc1ccc(C[C@@H](NC(=O)CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 | 10.1021/jm040871+ | ||
| 91936754 | 169008 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1519 | 40 | 15 | 17 | -1.1 | COc1ccc(C[C@@H](NC(=O)CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 | 10.1021/jm040871+ | ||
| CHEMBL439430 | 169008 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1519 | 40 | 15 | 17 | -1.1 | COc1ccc(C[C@@H](NC(=O)CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 | 10.1021/jm040871+ | ||
| 1135733 | 135974 | 9 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 3.5 | COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL373167 | 135974 | 9 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 3.5 | COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| 46890258 | 6903 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 424 | 3 | 1 | 2 | 6.0 | CC(=O)Nc1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084455 | 6903 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 424 | 3 | 1 | 2 | 6.0 | CC(=O)Nc1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 16063234 | 118635 | 3 | None | 16 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 373 | 2 | 1 | 2 | 4.4 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCN(c2ccccc2Cl)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416880 | 118635 | 3 | None | 16 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 373 | 2 | 1 | 2 | 4.4 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCN(c2ccccc2Cl)CC1 | 10.1021/jm501745f | ||
| 135469685 | 79050 | 0 | None | -165 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 542 | 10 | 2 | 7 | 3.0 | COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113211 | 79050 | 0 | None | -165 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 542 | 10 | 2 | 7 | 3.0 | COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL5074961 | 214320 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | OC1Cc2c(Cl)cccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||||
| 56680282 | 64013 | 0 | None | -21 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 490 | 10 | 2 | 4 | 3.0 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807259 | 64013 | 0 | None | -21 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 490 | 10 | 2 | 4 | 3.0 | CN1CCN(CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 56671720 | 63193 | 0 | None | -67 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1324 | 18 | 15 | 21 | -0.9 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790720 | 63193 | 0 | None | -67 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1324 | 18 | 15 | 21 | -0.9 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| 135506374 | 137875 | 23 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 137875 | 23 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 54580270 | 61858 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 536 | 10 | 2 | 6 | 2.5 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCCN2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774001 | 61858 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 536 | 10 | 2 | 6 | 2.5 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCCN2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 42611262 | 180535 | 0 | None | -31 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL475395 | 180535 | 0 | None | -31 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44419039 | 137371 | 0 | None | -100 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1096 | 20 | 14 | 15 | -4.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| CHEMBL375324 | 137371 | 0 | None | -100 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1096 | 20 | 14 | 15 | -4.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| 145981637 | 166469 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -4.3 | COc1ccc(C[C@@H](NC(=O)C[Se]c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4278500 | 166469 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -4.3 | COc1ccc(C[C@@H](NC(=O)C[Se]c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| 5034737 | 206320 | 12 | None | 20 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 4 | 0 | 4 | 4.9 | COc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL87351 | 206320 | 12 | None | 20 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 4 | 0 | 4 | 4.9 | COc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 44361522 | 121669 | 0 | None | -2137 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 477 | 4 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1021/jm00023a002 | ||
| CHEMBL358793 | 121669 | 0 | None | -2137 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 477 | 4 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1021/jm00023a002 | ||
| 57978135 | 118637 | 0 | None | -89 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 449 | 3 | 1 | 4 | 4.7 | O=C(c1cn(C[C@@H]2CCCN2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| CHEMBL3416882 | 118637 | 0 | None | -89 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 449 | 3 | 1 | 4 | 4.7 | O=C(c1cn(C[C@@H]2CCCN2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| 44419029 | 96881 | 0 | None | -31622 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1053 | 18 | 13 | 14 | -2.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL265859 | 96881 | 0 | None | -31622 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1053 | 18 | 13 | 14 | -2.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 10444 | 2312 | 14 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 139030525 | 2312 | 14 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145711714 | 2312 | 14 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204210 | 2312 | 14 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 45483325 | 198248 | 0 | None | -20 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 577 | 11 | 1 | 7 | 3.4 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575797 | 198248 | 0 | None | -20 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 577 | 11 | 1 | 7 | 3.4 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 10416272 | 104712 | 6 | None | -630 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL31065 | 104712 | 6 | None | -630 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 10416272 | 104712 | 6 | None | -630 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1021/jm901812z | ||
| CHEMBL31065 | 104712 | 6 | None | -630 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1021/jm901812z | ||
| 45483256 | 198275 | 0 | None | -8 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 11 | 1 | 7 | 3.4 | CCCNC1CCN(S(=O)(=O)CCC2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575987 | 198275 | 0 | None | -8 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 11 | 1 | 7 | 3.4 | CCCNC1CCN(S(=O)(=O)CCC2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 54581268 | 61863 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 533 | 8 | 2 | 5 | 3.9 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3C)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774006 | 61863 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 533 | 8 | 2 | 5 | 3.9 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3C)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 54582311 | 61873 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 493 | 7 | 3 | 3 | 4.3 | O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774016 | 61873 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 493 | 7 | 3 | 3 | 4.3 | O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.02.096 | ||
| 56683608 | 64030 | 0 | None | -18 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 9 | 3 | 3 | 3.5 | O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(F)cc2)CCCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807276 | 64030 | 0 | None | -18 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 9 | 3 | 3 | 3.5 | O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(F)cc2)CCCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 56676960 | 64033 | 0 | None | -75 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCC(O)C1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807279 | 64033 | 0 | None | -75 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCC(O)C1 | 10.1016/j.bmcl.2011.05.092 | ||
| 56666703 | 64035 | 0 | None | -72 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H]1CC[C@@H](O)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807280 | 64035 | 0 | None | -72 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H]1CC[C@@H](O)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 145990668 | 166915 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1099 | 19 | 15 | 14 | -6.0 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[Se]C[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4286989 | 166915 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1099 | 19 | 15 | 14 | -6.0 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[Se]C[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| 135489430 | 79035 | 0 | None | -11 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 627 | 12 | 2 | 9 | 3.1 | COC(=O)c1cccc2c1NC(=O)/C2=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCCN(C)C)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113195 | 79035 | 0 | None | -11 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 627 | 12 | 2 | 9 | 3.1 | COC(=O)c1cccc2c1NC(=O)/C2=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCCN(C)C)cc1 | 10.1021/jm050645f | ||
| CHEMBL2369838 | 209680 | 0 | None | -6 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 44428547 | 93148 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 731 | 12 | 1 | 6 | 5.5 | CC(C)N1CCN(C(=O)CC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL244389 | 93148 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 731 | 12 | 1 | 6 | 5.5 | CC(C)N1CCN(C(=O)CC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| 53349471 | 118577 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1016/j.bmcl.2017.11.050 | ||
| CHEMBL3416774 | 118577 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1016/j.bmcl.2017.11.050 | ||
| 53349471 | 118577 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416774 | 118577 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 11993729 | 118638 | 0 | None | -12 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 463 | 3 | 0 | 4 | 5.1 | CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| CHEMBL3416883 | 118638 | 0 | None | -12 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 463 | 3 | 0 | 4 | 5.1 | CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| 162646538 | 179582 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 412 | 1 | 0 | 3 | 3.8 | CC(=O)N1CCN(C(=O)N2CCN(c3ccccc3C)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4742335 | 179582 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 412 | 1 | 0 | 3 | 3.8 | CC(=O)N1CCN(C(=O)N2CCN(c3ccccc3C)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| 162649115 | 179845 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 2 | 0 | 5 | 4.8 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4745524 | 179845 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 2 | 0 | 5 | 4.8 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| 54580516 | 62352 | 0 | None | -426 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 695 | 9 | 0 | 9 | 3.6 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCN(C)CC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779410 | 62352 | 0 | None | -426 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 695 | 9 | 0 | 9 | 3.6 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCN(C)CC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 44520868 | 182004 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 498 | 5 | 1 | 4 | 5.4 | CCCNC(=O)/C=C1/c2ccccc2N(C(=O)c2ccc(-n3ccc(C)n3)cc2Cl)CCC1(F)F | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL478083 | 182004 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 498 | 5 | 1 | 4 | 5.4 | CCCNC(=O)/C=C1/c2ccccc2N(C(=O)c2ccc(-n3ccc(C)n3)cc2Cl)CCC1(F)F | 10.1016/j.bmc.2009.03.001 | ||
| 44520849 | 201690 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 503 | 5 | 2 | 4 | 4.4 | C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL606464 | 201690 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 503 | 5 | 2 | 4 | 4.4 | C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| 10165683 | 106099 | 0 | None | 676 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 537 | 13 | 0 | 6 | 6.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL313451 | 106099 | 0 | None | 676 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 537 | 13 | 0 | 6 | 6.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 44428488 | 142578 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 766 | 11 | 2 | 6 | 5.8 | NC1CC[N+](Cc2ccccc2)(C(=O)C(C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL389139 | 142578 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 766 | 11 | 2 | 6 | 5.8 | NC1CC[N+](Cc2ccccc2)(C(=O)C(C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| 46890613 | 6873 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 439 | 4 | 0 | 2 | 7.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084326 | 6873 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 439 | 4 | 0 | 2 | 7.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 56657867 | 63189 | 0 | None | -40 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1338 | 19 | 15 | 21 | -0.5 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790717 | 63189 | 0 | None | -40 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1338 | 19 | 15 | 21 | -0.5 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| 56666701 | 64022 | 0 | None | -26 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 497 | 9 | 2 | 4 | 4.1 | COc1ccc(C[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C(=O)N[C@H]2CC[C@H](N(C)C)CC2)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807268 | 64022 | 0 | None | -26 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 497 | 9 | 2 | 4 | 4.1 | COc1ccc(C[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C(=O)N[C@H]2CC[C@H](N(C)C)CC2)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| 10206901 | 206334 | 0 | None | 501 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 494 | 11 | 0 | 5 | 7.3 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCCCC1 | 10.1021/jm010544r | ||
| CHEMBL87455 | 206334 | 0 | None | 501 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 494 | 11 | 0 | 5 | 7.3 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCCCC1 | 10.1021/jm010544r | ||
| 137212775 | 137867 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 518 | 9 | 3 | 8 | 4.2 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763217 | 137867 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 518 | 9 | 3 | 8 | 4.2 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2015.11.050 | ||
| 16109442 | 137372 | 0 | None | -213 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1068 | 20 | 14 | 15 | -3.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL375325 | 137372 | 0 | None | -213 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1068 | 20 | 14 | 15 | -3.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 44335345 | 5139 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 505 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL105961 | 5139 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 505 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| 9915472 | 169499 | 0 | None | -14 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 547 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL443498 | 169499 | 0 | None | -14 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 547 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 16109447 | 83322 | 0 | None | -1412 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1012 | 18 | 12 | 15 | -3.2 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL219272 | 83322 | 0 | None | -1412 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1012 | 18 | 12 | 15 | -3.2 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 44325363 | 106583 | 0 | None | -281 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL314290 | 106583 | 0 | None | -281 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325895 | 207885 | 0 | None | -19 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL96731 | 207885 | 0 | None | -19 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 54581300 | 61878 | 0 | None | -41 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 501 | 7 | 2 | 3 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(C)(C)c1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774021 | 61878 | 0 | None | -41 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 501 | 7 | 2 | 3 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(C)(C)c1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 135476004 | 79032 | 0 | None | -147 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 2.7 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113185 | 79032 | 0 | None | -147 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 2.7 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 135520376 | 79048 | 0 | None | -138 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 526 | 9 | 2 | 6 | 3.8 | CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113209 | 79048 | 0 | None | -138 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 526 | 9 | 2 | 6 | 3.8 | CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL5283016 | 194159 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 384 | 3 | 0 | 7 | 3.6 | Clc1cnc2n1CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c01215 | ||
| 59657523 | 118636 | 0 | None | -28 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 451 | 3 | 0 | 4 | 4.0 | CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| CHEMBL3416881 | 118636 | 0 | None | -28 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 451 | 3 | 0 | 4 | 4.0 | CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| 162657843 | 181121 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 370 | 2 | 0 | 4 | 3.4 | CN1CCN(C(=O)C2CCN(c3ccccn3)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4760698 | 181121 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 370 | 2 | 0 | 4 | 3.4 | CN1CCN(C(=O)C2CCN(c3ccccn3)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| 10411308 | 201211 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm3006146 | ||
| CHEMBL603708 | 201211 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm3006146 | ||
| 56670128 | 64032 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 3.2 | CC(CCO)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807278 | 64032 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 3.2 | CC(CCO)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL5283584 | 194196 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 369 | 2 | 0 | 7 | 2.8 | Clc1cnc2n1CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c01215 | ||
| 16109445 | 137219 | 0 | None | -5495 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1011 | 17 | 11 | 14 | -1.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL375188 | 137219 | 0 | None | -5495 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1011 | 17 | 11 | 14 | -1.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 10414302 | 112493 | 0 | None | -50 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL329903 | 112493 | 0 | None | -50 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325896 | 207788 | 0 | None | -27 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 551 | 4 | 1 | 5 | 4.9 | O=C(Nc1ccc(C(=O)N2CC3CS(=O)(=O)CCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL96255 | 207788 | 0 | None | -27 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 551 | 4 | 1 | 5 | 4.9 | O=C(Nc1ccc(C(=O)N2CC3CS(=O)(=O)CCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 114904 | 2933 | 56 | None | -301 | 7 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm000108p | ||
| 2196 | 2933 | 56 | None | -301 | 7 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm000108p | ||
| CHEMBL296908 | 2933 | 56 | None | -301 | 7 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm000108p | ||
| 44325691 | 12966 | 0 | None | -239 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL1189693 | 12966 | 0 | None | -239 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL539285 | 12966 | 0 | None | -239 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 9807250 | 78318 | 0 | None | -58 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL2093899 | 78318 | 0 | None | -58 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL2110044 | 78318 | 0 | None | -58 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325915 | 112711 | 0 | None | -104 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 509 | 3 | 1 | 4 | 5.6 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL330494 | 112711 | 0 | None | -104 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 509 | 3 | 1 | 4 | 5.6 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325905 | 164253 | 0 | None | -275 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 571 | 4 | 1 | 4 | 7.0 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL421180 | 164253 | 0 | None | -275 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 571 | 4 | 1 | 4 | 7.0 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325804 | 207287 | 0 | None | -37 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 533 | 4 | 1 | 4 | 6.5 | Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC1CSCCN1C2 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL93366 | 207287 | 0 | None | -37 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 533 | 4 | 1 | 4 | 6.5 | Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC1CSCCN1C2 | 10.1016/j.bmcl.2004.03.083 | ||
| 1103817 | 16972 | 13 | None | -338 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL1254117 | 16972 | 13 | None | -338 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 1103817 | 16972 | 13 | None | -338 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm901812z | ||
| CHEMBL1254117 | 16972 | 13 | None | -338 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm901812z | ||
| 10461270 | 3652 | 7 | None | -199 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 10.1021/jm901812z | ||
| 2201 | 3652 | 7 | None | -199 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 10.1021/jm901812z | ||
| CHEMBL1615640 | 3652 | 7 | None | -199 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 10.1021/jm901812z | ||
| CHEMBL5071635 | 214242 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | Cc1cccc2c1-n1c(nnc1[C@H]1CC[C@H](Oc3ccccn3)CC1)C[C@H](O)C2 | 10.1021/acs.jmedchem.1c00863 | ||||
| 118734334 | 118571 | 0 | None | 10 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416767 | 118571 | 0 | None | 10 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 168294720 | 192445 | 0 | None | -16 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 601 | 9 | 1 | 5 | 6.5 | CCN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc32)CC1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5208751 | 192445 | 0 | None | -16 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 601 | 9 | 1 | 5 | 6.5 | CCN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc32)CC1 | 10.1021/acs.jmedchem.2c00567 | ||
| 54585160 | 61823 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 612 | 13 | 1 | 6 | 4.9 | COc1cc(C)c(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773860 | 61823 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 612 | 13 | 1 | 6 | 4.9 | COc1cc(C)c(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1161780 | 208488 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O | 10.1021/jm040871+ | ||||
| 59429617 | 118634 | 0 | None | -64 | 2 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 338 | 2 | 1 | 1 | 4.8 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416879 | 118634 | 0 | None | -64 | 2 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 338 | 2 | 1 | 1 | 4.8 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2)CC1 | 10.1021/jm501745f | ||
| CHEMBL408657 | 212704 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O | 10.1021/jm040871+ | ||||
| 44361387 | 119388 | 0 | None | 8 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 505 | 6 | 0 | 5 | 4.6 | CC(=O)N1CCCCC1CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL344752 | 119388 | 0 | None | 8 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 505 | 6 | 0 | 5 | 4.6 | CC(=O)N1CCCCC1CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 162661138 | 181485 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 345 | 2 | 0 | 5 | 3.5 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3CCC4)CC2)nc1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4764976 | 181485 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 345 | 2 | 0 | 5 | 3.5 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3CCC4)CC2)nc1 | 10.1016/j.bmcl.2020.127417 | ||
| 162676230 | 183301 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 4.1 | CCc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4797387 | 183301 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 4.1 | CCc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 162676890 | 183466 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 355 | 1 | 0 | 2 | 4.0 | Cc1ccccc1N1CCN(C(=O)N2CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4799501 | 183466 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 355 | 1 | 0 | 2 | 4.0 | Cc1ccccc1N1CCN(C(=O)N2CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 54586392 | 62349 | 0 | None | -380 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 695 | 9 | 0 | 9 | 3.6 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccc(CN4CCN(C)CC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779407 | 62349 | 0 | None | -380 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 695 | 9 | 0 | 9 | 3.6 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccc(CN4CCN(C)CC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 44520853 | 185495 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccncc4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL486268 | 185495 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccncc4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 54580268 | 61852 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 592 | 12 | 1 | 6 | 4.0 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)C(C)C)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773998 | 61852 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 592 | 12 | 1 | 6 | 4.0 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)C(C)C)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 46890215 | 7121 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 447 | 3 | 0 | 2 | 7.2 | COc1cc(-c2cccc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085378 | 7121 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 447 | 3 | 0 | 2 | 7.2 | COc1cc(-c2cccc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| 44419028 | 96880 | 17 | None | -125 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| CHEMBL265858 | 96880 | 17 | None | -125 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| 44279910 | 99138 | 0 | None | -630 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 3.7 | COc1cccn(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)c1=O | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL281243 | 99138 | 0 | None | -630 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 3.7 | COc1cccn(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)c1=O | 10.1016/s0960-894x(02)00160-9 | ||
| 44279908 | 99557 | 0 | None | -794 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 585 | 8 | 1 | 9 | 3.5 | CCOc1ccn(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)c(=O)n1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL283894 | 99557 | 0 | None | -794 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 585 | 8 | 1 | 9 | 3.5 | CCOc1ccn(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)c(=O)n1 | 10.1016/s0960-894x(02)00160-9 | ||
| 57519947 | 73621 | 0 | None | -2 | 5 | Prairie vole | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C\I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017868 | 73621 | 0 | None | -2 | 5 | Prairie vole | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C\I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 15952129 | 118629 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 366 | 1 | 1 | 2 | 4.4 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)COc1ccccc12 | 10.1021/jm501745f | ||
| CHEMBL3416874 | 118629 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 366 | 1 | 1 | 2 | 4.4 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)COc1ccccc12 | 10.1021/jm501745f | ||
| 54583238 | 61821 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 606 | 13 | 1 | 6 | 4.2 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773859 | 61821 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 606 | 13 | 1 | 6 | 4.2 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 56682530 | 63180 | 0 | None | -39 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1053 | 18 | 12 | 14 | -2.6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL1790575 | 63180 | 0 | None | -39 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1053 | 18 | 12 | 14 | -2.6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 162646537 | 179581 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 357 | 1 | 1 | 4 | 2.9 | O=C(N1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4742334 | 179581 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 357 | 1 | 1 | 4 | 2.9 | O=C(N1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| 11692335 | 71955 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 537 | 10 | 1 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2CC(N)=O)c2ccc(OC)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL197378 | 71955 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 537 | 10 | 1 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2CC(N)=O)c2ccc(OC)cc2)cc1 | 10.1021/jm050645f | ||
| 11620428 | 141248 | 0 | None | -2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 509 | 9 | 1 | 6 | 2.9 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3C2C(N)=O)c2ccc(OC)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL383149 | 141248 | 0 | None | -2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 509 | 9 | 1 | 6 | 2.9 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3C2C(N)=O)c2ccc(OC)cc2)cc1 | 10.1021/jm050645f | ||
| 9981665 | 118451 | 4 | None | -4 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm901812z | ||
| CHEMBL341339 | 118451 | 4 | None | -4 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm901812z | ||
| 44325703 | 111376 | 0 | None | -75 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(O)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL327242 | 111376 | 0 | None | -75 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(O)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 145974638 | 164570 | 0 | None | 4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 2 | 1 | 4 | 3.7 | Cc1ccn(-c2ccc(C(=O)N3CCCC(O)c4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4215696 | 164570 | 0 | None | 4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 2 | 1 | 4 | 3.7 | Cc1ccn(-c2ccc(C(=O)N3CCCC(O)c4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 162675154 | 183400 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 370 | 2 | 1 | 3 | 3.5 | O=C(N1CCN(Cc2ccccc2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4798616 | 183400 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 370 | 2 | 1 | 3 | 3.5 | O=C(N1CCN(Cc2ccccc2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| 135916060 | 201065 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 3 | 2 | 5 | 3.9 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCCC1 | 10.1021/jm901084f | ||
| CHEMBL602871 | 201065 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 444 | 3 | 2 | 5 | 3.9 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCCC1 | 10.1021/jm901084f | ||
| 145962220 | 161553 | 0 | None | -33 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4129142 | 161553 | 0 | None | -33 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 54584224 | 61848 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 546 | 12 | 1 | 4 | 4.3 | CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773994 | 61848 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 546 | 12 | 1 | 4 | 4.3 | CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| 56673646 | 64015 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 435 | 10 | 2 | 3 | 3.3 | CN(C)CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807261 | 64015 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 435 | 10 | 2 | 3 | 3.3 | CN(C)CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| 56666702 | 64031 | 0 | None | -57 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 3.2 | CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807277 | 64031 | 0 | None | -57 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 3.2 | CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| 46890053 | 6824 | 0 | None | 141 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 413 | 3 | 0 | 2 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084112 | 6824 | 0 | None | 141 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 413 | 3 | 0 | 2 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 44520851 | 199776 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 503 | 5 | 2 | 4 | 4.4 | C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL594026 | 199776 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 503 | 5 | 2 | 4 | 4.4 | C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| 10164478 | 206662 | 0 | None | -16 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 11 | 0 | 6 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL89552 | 206662 | 0 | None | -16 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 11 | 0 | 6 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 56671723 | 63198 | 0 | None | -53 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1311 | 17 | 15 | 21 | -0.4 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790729 | 63198 | 0 | None | -53 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1311 | 17 | 15 | 21 | -0.4 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| 54587188 | 61877 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 469 | 8 | 2 | 4 | 3.4 | COc1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774020 | 61877 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 469 | 8 | 2 | 4 | 3.4 | COc1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1 | 10.1016/j.bmcl.2011.02.096 | ||
| 44297641 | 167728 | 0 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1301 | 36 | 15 | 16 | -2.2 | CN(C(=O)c1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL430301 | 167728 | 0 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1301 | 36 | 15 | 16 | -2.2 | CN(C(=O)c1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 31112441 | 180314 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 439 | 4 | 1 | 4 | 4.9 | Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4751260 | 180314 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 439 | 4 | 1 | 4 | 4.9 | Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 135916061 | 201093 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 418 | 3 | 2 | 5 | 3.4 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N(C)C | 10.1021/jm901084f | ||
| CHEMBL603075 | 201093 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 418 | 3 | 2 | 5 | 3.4 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N(C)C | 10.1021/jm901084f | ||
| 44520848 | 199921 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 534 | 5 | 2 | 5 | 4.4 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL594953 | 199921 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 534 | 5 | 2 | 5 | 4.4 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmc.2009.10.038 | ||
| 2192 | 2343 | 28 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| 9690136 | 2343 | 28 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| CHEMBL1254024 | 2343 | 28 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| 54585429 | 62346 | 0 | None | -30 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 661 | 9 | 1 | 12 | 1.7 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cnc(OC)nc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779404 | 62346 | 0 | None | -30 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 661 | 9 | 1 | 12 | 1.7 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cnc(OC)nc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 71455302 | 82347 | 0 | None | -501 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71482380 | 82347 | 0 | None | -501 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL2172290 | 82347 | 0 | None | -501 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 145956003 | 162598 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 538 | 6 | 3 | 8 | 4.4 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCc1ccc(N3CCN(Cc4cc(O)cc(O)c4)CC3)cc1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL4169435 | 162598 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 538 | 6 | 3 | 8 | 4.4 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCc1ccc(N3CCN(Cc4cc(O)cc(O)c4)CC3)cc1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| 135469700 | 79042 | 0 | None | -85 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 555 | 10 | 2 | 7 | 2.9 | CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113203 | 79042 | 0 | None | -85 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 555 | 10 | 2 | 7 | 2.9 | CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 59657559 | 118624 | 0 | None | -89 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 494 | 6 | 1 | 5 | 3.6 | CN(C)CCNC(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| CHEMBL3416869 | 118624 | 0 | None | -89 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 494 | 6 | 1 | 5 | 3.6 | CN(C)CCNC(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| 46890259 | 6882 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 454 | 4 | 1 | 3 | 6.0 | COc1cc(-c2cccc(NC(C)=O)c2)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084362 | 6882 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 454 | 4 | 1 | 3 | 6.0 | COc1cc(-c2cccc(NC(C)=O)c2)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| 44428579 | 92028 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 731 | 13 | 1 | 6 | 6.2 | C[C@@H](NC(=O)[C@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL241886 | 92028 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 731 | 13 | 1 | 6 | 6.2 | C[C@@H](NC(=O)[C@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44400361 | 96795 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1490 | 38 | 15 | 16 | -1.3 | COc1ccc(C[C@@H](NC(=O)c2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 | 10.1021/jm040871+ | ||
| 91936750 | 96795 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1490 | 38 | 15 | 16 | -1.3 | COc1ccc(C[C@@H](NC(=O)c2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 | 10.1021/jm040871+ | ||
| CHEMBL265137 | 96795 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1490 | 38 | 15 | 16 | -1.3 | COc1ccc(C[C@@H](NC(=O)c2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 | 10.1021/jm040871+ | ||
| 136961690 | 118568 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 3 | 1 | 6 | 4.2 | Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm501395b | ||
| CHEMBL3416757 | 118568 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 3 | 1 | 6 | 4.2 | Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm501395b | ||
| 135916069 | 201520 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 2 | 1 | 6 | 4.1 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm901084f | ||
| CHEMBL605373 | 201520 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 2 | 1 | 6 | 4.1 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm901084f | ||
| 44325804 | 207287 | 0 | None | -37 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 4 | 1 | 4 | 6.5 | Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC1CSCCN1C2 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL93366 | 207287 | 0 | None | -37 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 4 | 1 | 4 | 6.5 | Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC1CSCCN1C2 | 10.1016/j.bmcl.2004.03.083 | ||
| 44428489 | 152057 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 703 | 10 | 1 | 6 | 4.7 | CC(C)N1CCN(C(=O)C(C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL396756 | 152057 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 703 | 10 | 1 | 6 | 4.7 | CC(C)N1CCN(C(=O)C(C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| 56666700 | 64019 | 0 | None | 5 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 9 | 3 | 3 | 3.3 | O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807265 | 64019 | 0 | None | 5 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 9 | 3 | 3 | 3.3 | O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 2249 | 2215 | 18 | None | -48 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 9872389 | 2215 | 18 | None | -48 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| CHEMBL1253853 | 2215 | 18 | None | -48 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 162650665 | 180126 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 392 | 3 | 0 | 5 | 5.0 | Clc1ccc2c(c1)C1CC1c1nnc([C@H]3CC[C@@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4748895 | 180126 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 392 | 3 | 0 | 5 | 5.0 | Clc1ccc2c(c1)C1CC1c1nnc([C@H]3CC[C@@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 2249 | 2215 | 18 | None | -48 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| 9872389 | 2215 | 18 | None | -48 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| CHEMBL1253853 | 2215 | 18 | None | -48 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| 11519251 | 166290 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 521 | 9 | 1 | 5 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2CC(N)=O)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL427190 | 166290 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 521 | 9 | 1 | 5 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2CC(N)=O)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 16109439 | 137217 | 0 | None | -177 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1023 | 15 | 11 | 14 | -1.7 | NC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL375187 | 137217 | 0 | None | -177 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1023 | 15 | 11 | 14 | -1.7 | NC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 54582291 | 61860 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 493 | 7 | 1 | 5 | 2.9 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774003 | 61860 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 493 | 7 | 1 | 5 | 2.9 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 11619807 | 72861 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 472 | 9 | 1 | 6 | 3.5 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL200368 | 72861 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 472 | 9 | 1 | 6 | 3.5 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 46890216 | 6821 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 458 | 3 | 1 | 2 | 6.7 | CC(=O)Nc1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084085 | 6821 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 458 | 3 | 1 | 2 | 6.7 | CC(=O)Nc1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 45483204 | 197864 | 0 | None | -11 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204126 | 197864 | 0 | None | -11 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204403 | 197864 | 0 | None | -11 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572709 | 197864 | 0 | None | -11 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 118734334 | 118571 | 0 | None | 10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1016/j.bmcl.2017.11.050 | ||
| CHEMBL3416767 | 118571 | 0 | None | 10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1016/j.bmcl.2017.11.050 | ||
| 118734334 | 118571 | 0 | None | 10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416767 | 118571 | 0 | None | 10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL2369829 | 209673 | 0 | None | -16 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| CHEMBL2369841 | 209683 | 0 | None | -5 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | NC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 44520867 | 182002 | 0 | None | -5 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 456 | 3 | 1 | 4 | 4.4 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(N)=O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL478082 | 182002 | 0 | None | -5 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 456 | 3 | 1 | 4 | 4.4 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(N)=O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 56673645 | 64012 | 0 | None | -17 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 447 | 7 | 2 | 3 | 3.5 | CN1CCC(NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807258 | 64012 | 0 | None | -17 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 447 | 7 | 2 | 3 | 3.5 | CN1CCC(NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 44325607 | 112129 | 0 | None | -660 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)cc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL329026 | 112129 | 0 | None | -660 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)cc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325704 | 112280 | 0 | None | -64 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(O)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL329141 | 112280 | 0 | None | -64 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(O)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 145953063 | 162628 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 552 | 7 | 1 | 8 | 4.6 | COc1cc(CN2CCN(c3ccc(CC(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL4169830 | 162628 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 552 | 7 | 1 | 8 | 4.6 | COc1cc(CN2CCN(c3ccc(CC(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| 45483204 | 197864 | 0 | None | -40 | 5 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204126 | 197864 | 0 | None | -40 | 5 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204403 | 197864 | 0 | None | -40 | 5 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572709 | 197864 | 0 | None | -40 | 5 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483238 | 198741 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 613 | 11 | 1 | 7 | 4.2 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL583083 | 198741 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 613 | 11 | 1 | 7 | 4.2 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 54585431 | 62357 | 0 | None | -162 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 662 | 9 | 0 | 9 | 5.8 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779417 | 62357 | 0 | None | -162 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 662 | 9 | 0 | 9 | 5.8 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 145953061 | 162625 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 524 | 5 | 3 | 8 | 4.0 | Cn1ncc2c1Nc1ccccc1N(C(=O)Cc1ccccc1N1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL4169825 | 162625 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 524 | 5 | 3 | 8 | 4.0 | Cn1ncc2c1Nc1ccccc1N(C(=O)Cc1ccccc1N1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| 137212771 | 137863 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 546 | 11 | 1 | 8 | 4.8 | COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL3763174 | 137863 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 546 | 11 | 1 | 8 | 4.8 | COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| 54582311 | 61873 | 0 | None | -1 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 493 | 7 | 3 | 3 | 4.3 | O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774016 | 61873 | 0 | None | -1 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 493 | 7 | 3 | 3 | 4.3 | O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.02.096 | ||
| 119369 | 2588 | 74 | None | -6 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm3006146 | ||
| 2197 | 2588 | 74 | None | -6 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm3006146 | ||
| 4004 | 2588 | 74 | None | -6 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm3006146 | ||
| CHEMBL420762 | 2588 | 74 | None | -6 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm3006146 | ||
| 137212771 | 137863 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 546 | 11 | 1 | 8 | 4.8 | COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763174 | 137863 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 546 | 11 | 1 | 8 | 4.8 | COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| 145960494 | 161537 | 0 | None | -13 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1081 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4128839 | 161537 | 0 | None | -13 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1081 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 135413563 | 122904 | 25 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL360648 | 122904 | 25 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 16063234 | 118635 | 3 | None | -16 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 2 | 1 | 2 | 4.4 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCN(c2ccccc2Cl)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416880 | 118635 | 3 | None | -16 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 2 | 1 | 2 | 4.4 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCN(c2ccccc2Cl)CC1 | 10.1021/jm501745f | ||
| 15953022 | 118616 | 0 | None | 104 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 436 | 3 | 0 | 3 | 5.7 | Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1Cc1ccccc1 | 10.1021/acs.jmedchem.6b01437 | ||
| CHEMBL3416860 | 118616 | 0 | None | 104 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 436 | 3 | 0 | 3 | 5.7 | Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1Cc1ccccc1 | 10.1021/acs.jmedchem.6b01437 | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/np50112a001 | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/np50112a001 | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/np50112a001 | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/np50112a001 | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/np50112a001 | ||
| 9938406 | 93288 | 1 | None | -2 | 6 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24526 | 93288 | 1 | None | -2 | 6 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 15953022 | 118616 | 0 | None | 104 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 436 | 3 | 0 | 3 | 5.7 | Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1Cc1ccccc1 | 10.1021/jm501745f | ||
| CHEMBL3416860 | 118616 | 0 | None | 104 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 436 | 3 | 0 | 3 | 5.7 | Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1Cc1ccccc1 | 10.1021/jm501745f | ||
| 59657559 | 118624 | 0 | None | 89 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 494 | 6 | 1 | 5 | 3.6 | CN(C)CCNC(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| CHEMBL3416869 | 118624 | 0 | None | 89 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 494 | 6 | 1 | 5 | 3.6 | CN(C)CCNC(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| 162674253 | 183201 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 3.2 | Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4796133 | 183201 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 3.2 | Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162676406 | 183396 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 405 | 1 | 0 | 4 | 3.6 | CN1CCN(C(=O)N2CCN(c3ncccc3Cl)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4798542 | 183396 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 405 | 1 | 0 | 4 | 3.6 | CN1CCN(C(=O)N2CCN(c3ncccc3Cl)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 137652605 | 158810 | 0 | None | 22 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4094707 | 158810 | 0 | None | 22 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 54581299 | 61874 | 0 | None | 97 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 473 | 7 | 2 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774017 | 61874 | 0 | None | 97 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 473 | 7 | 2 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 56666702 | 64031 | 0 | None | 57 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 3.2 | CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807277 | 64031 | 0 | None | 57 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 3.2 | CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| 56680284 | 64024 | 0 | None | -21 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 515 | 8 | 2 | 3 | 5.1 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807270 | 64024 | 0 | None | -21 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 515 | 8 | 2 | 3 | 5.1 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 44428109 | 10286 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1629 | 38 | 18 | 23 | -0.0 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N(C(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)[C@@H](CCCCN)C(N)=O)C1 | 10.1021/jm061404q | ||
| 91935618 | 10286 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1629 | 38 | 18 | 23 | -0.0 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N(C(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)[C@@H](CCCCN)C(N)=O)C1 | 10.1021/jm061404q | ||
| CHEMBL1161979 | 10286 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1629 | 38 | 18 | 23 | -0.0 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N(C(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)[C@@H](CCCCN)C(N)=O)C1 | 10.1021/jm061404q | ||
| 11016093 | 168031 | 0 | None | 2089 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 466 | 9 | 1 | 5 | 6.5 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCC1CCNCC1 | 10.1021/jm010544r | ||
| CHEMBL432375 | 168031 | 0 | None | 2089 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 466 | 9 | 1 | 5 | 6.5 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCC1CCNCC1 | 10.1021/jm010544r | ||
| 46890615 | 6642 | 0 | None | 128 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083444 | 6642 | 0 | None | 128 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1C | 10.1016/j.bmcl.2010.04.068 | ||
| 67839485 | 164177 | 0 | None | 4 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 327 | 2 | 0 | 1 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4210854 | 164177 | 0 | None | 4 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 327 | 2 | 0 | 1 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 53364234 | 64027 | 0 | None | -9 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 485 | 8 | 2 | 3 | 4.2 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807273 | 64027 | 0 | None | -9 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 485 | 8 | 2 | 3 | 4.2 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 162645320 | 179482 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 360 | 3 | 0 | 5 | 4.3 | c1ccc(O[C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)nc1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4741178 | 179482 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 360 | 3 | 0 | 5 | 4.3 | c1ccc(O[C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)nc1 | 10.1016/j.bmcl.2020.127417 | ||
| 162670181 | 182729 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 465 | 3 | 0 | 3 | 5.3 | Cc1ccccc1N1CCN(C(=O)N2C[C@H](C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4790089 | 182729 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 465 | 3 | 0 | 3 | 5.3 | Cc1ccccc1N1CCN(C(=O)N2C[C@H](C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 25109291 | 191362 | 10 | None | -56 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| CHEMBL519240 | 191362 | 10 | None | -56 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| 44400328 | 159649 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1474 | 38 | 15 | 15 | -1.4 | NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O | 10.1021/jm040871+ | ||
| 91936751 | 159649 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1474 | 38 | 15 | 15 | -1.4 | NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O | 10.1021/jm040871+ | ||
| CHEMBL410401 | 159649 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1474 | 38 | 15 | 15 | -1.4 | NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O | 10.1021/jm040871+ | ||
| 46890569 | 7265 | 0 | None | 74 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 439 | 4 | 0 | 2 | 7.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086052 | 7265 | 0 | None | 74 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 439 | 4 | 0 | 2 | 7.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 162662884 | 181888 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 440 | 2 | 0 | 3 | 4.4 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C(C)C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4779447 | 181888 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 440 | 2 | 0 | 3 | 4.4 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C(C)C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 10411308 | 201211 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL603708 | 201211 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 10411308 | 201211 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm3006146 | ||
| CHEMBL603708 | 201211 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm3006146 | ||
| 10411308 | 201211 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| CHEMBL603708 | 201211 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| 46890570 | 7266 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cc(Cl)ccc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086053 | 7266 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cc(Cl)ccc1C | 10.1016/j.bmcl.2010.04.068 | ||
| 56666702 | 64031 | 0 | None | 57 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 3.2 | CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807277 | 64031 | 0 | None | 57 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 3.2 | CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| 137637867 | 156197 | 0 | None | 50 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4064556 | 156197 | 0 | None | 50 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL2369831 | 209675 | 1 | None | -2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 44314382 | 102967 | 0 | None | 14 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 648 | 9 | 1 | 6 | 7.1 | Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)c1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL306718 | 102967 | 0 | None | 14 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 648 | 9 | 1 | 6 | 7.1 | Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)c1 | 10.1016/s0960-894x(01)00723-5 | ||
| 54584201 | 61819 | 0 | None | 426 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 640 | 13 | 1 | 6 | 4.8 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773857 | 61819 | 0 | None | 426 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 640 | 13 | 1 | 6 | 4.8 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1161783 | 208489 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O | 10.1021/jm040871+ | ||||
| 46890487 | 6866 | 0 | None | 4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084307 | 6866 | 0 | None | 4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1C | 10.1016/j.bmcl.2010.04.068 | ||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 44297506 | 96931 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 1301 | 36 | 15 | 16 | -2.2 | CN(C(=O)c1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL266264 | 96931 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 1301 | 36 | 15 | 16 | -2.2 | CN(C(=O)c1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 44325345 | 111535 | 0 | None | -75 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 493 | 3 | 1 | 4 | 4.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL328079 | 111535 | 0 | None | -75 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 493 | 3 | 1 | 4 | 4.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 54581299 | 61874 | 0 | None | -97 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774017 | 61874 | 0 | None | -97 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 56663272 | 64017 | 0 | None | -67 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 392 | 8 | 2 | 2 | 3.8 | CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807263 | 64017 | 0 | None | -67 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 392 | 8 | 2 | 2 | 3.8 | CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| 145959208 | 162165 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 552 | 7 | 1 | 8 | 4.6 | COc1cc(CN2CCN(c3cccc(CC(=O)N4Cc5cnn(C)c5Nc5ccccc54)c3)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL4162568 | 162165 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 552 | 7 | 1 | 8 | 4.6 | COc1cc(CN2CCN(c3cccc(CC(=O)N4Cc5cnn(C)c5Nc5ccccc54)c3)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| 54584254 | 61880 | 0 | None | -93 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.02.096 | ||
| 54584254 | 61880 | 0 | None | -93 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1774023 | 61880 | 0 | None | -93 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774023 | 61880 | 0 | None | -93 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2 | 10.1016/j.bmcl.2011.05.092 | ||
| 15953022 | 118616 | 0 | None | -104 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 436 | 3 | 0 | 3 | 5.7 | Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1Cc1ccccc1 | 10.1021/jm501745f | ||
| CHEMBL3416860 | 118616 | 0 | None | -104 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 436 | 3 | 0 | 3 | 5.7 | Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1Cc1ccccc1 | 10.1021/jm501745f | ||
| 135438380 | 79051 | 0 | None | -58 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 510 | 8 | 2 | 5 | 4.0 | CCCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113212 | 79051 | 0 | None | -58 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 510 | 8 | 2 | 5 | 4.0 | CCCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 10984025 | 112720 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 509 | 11 | 0 | 6 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(OCCCCCCN2CCN(C)CC2)c1 | 10.1021/jm010544r | ||
| CHEMBL330510 | 112720 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 509 | 11 | 0 | 6 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(OCCCCCCN2CCN(C)CC2)c1 | 10.1021/jm010544r | ||
| 54581307 | 61154 | 0 | None | -165 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1097 | 21 | 12 | 15 | -1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765666 | 61154 | 0 | None | -165 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1097 | 21 | 12 | 15 | -1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 56668257 | 63185 | 0 | None | -35 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1484 | 18 | 15 | 21 | 3.2 | CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790713 | 63185 | 0 | None | -35 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1484 | 18 | 15 | 21 | 3.2 | CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| 54581528 | 62343 | 0 | None | -57 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 614 | 8 | 0 | 9 | 3.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779401 | 62343 | 0 | None | -57 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 614 | 8 | 0 | 9 | 3.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 2202 | 2741 | 33 | None | -58 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| 9895468 | 2741 | 33 | None | -58 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL582857 | 2741 | 33 | None | -58 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| DB12643 | 2741 | 33 | None | -58 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| 2202 | 2741 | 33 | None | -58 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| 9895468 | 2741 | 33 | None | -58 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL582857 | 2741 | 33 | None | -58 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| DB12643 | 2741 | 33 | None | -58 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| 44520859 | 171605 | 0 | None | -2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 572 | 5 | 1 | 6 | 5.5 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(C#N)n4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL446566 | 171605 | 0 | None | -2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 572 | 5 | 1 | 6 | 5.5 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(C#N)n4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 54584252 | 61868 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 473 | 7 | 2 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774010 | 61868 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 473 | 7 | 2 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 46890531 | 6705 | 0 | None | 38 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 455 | 5 | 0 | 3 | 7.2 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1Oc1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083732 | 6705 | 0 | None | 38 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 455 | 5 | 0 | 3 | 7.2 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1Oc1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL2369845 | 209685 | 0 | None | -28 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 44361387 | 119388 | 0 | None | -1445 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 505 | 6 | 0 | 5 | 4.6 | CC(=O)N1CCCCC1CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL344752 | 119388 | 0 | None | -1445 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 505 | 6 | 0 | 5 | 4.6 | CC(=O)N1CCCCC1CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 44428495 | 142084 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 785 | 13 | 1 | 6 | 6.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL388259 | 142084 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 785 | 13 | 1 | 6 | 6.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 59429617 | 118634 | 0 | None | 64 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 338 | 2 | 1 | 1 | 4.8 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416879 | 118634 | 0 | None | 64 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 338 | 2 | 1 | 1 | 4.8 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2)CC1 | 10.1021/jm501745f | ||
| 162668903 | 182676 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 532 | 3 | 0 | 3 | 5.6 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3(c4ccc(F)cc4)CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4789445 | 182676 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 532 | 3 | 0 | 3 | 5.6 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3(c4ccc(F)cc4)CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 44335329 | 167814 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 561 | 4 | 1 | 3 | 7.6 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)cc2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL430841 | 167814 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 561 | 4 | 1 | 3 | 7.6 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)cc2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 114904 | 2933 | 56 | None | 7 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm010544r | ||
| 2196 | 2933 | 56 | None | 7 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm010544r | ||
| CHEMBL296908 | 2933 | 56 | None | 7 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm010544r | ||
| 46890100 | 7270 | 0 | None | 33 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 414 | 3 | 0 | 3 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ncccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086069 | 7270 | 0 | None | 33 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 414 | 3 | 0 | 3 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ncccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 114904 | 2933 | 56 | None | 7 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1016/s0960-894x(01)00723-5 | ||
| 2196 | 2933 | 56 | None | 7 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL296908 | 2933 | 56 | None | 7 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1016/s0960-894x(01)00723-5 | ||
| 54585191 | 61851 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 592 | 13 | 1 | 6 | 4.0 | CCCN(CCCN1CCN(C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773997 | 61851 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 592 | 13 | 1 | 6 | 4.0 | CCCN(CCCN1CCN(C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 44520870 | 186929 | 0 | None | -10 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 514 | 5 | 2 | 5 | 4.1 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCC(=O)O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL490249 | 186929 | 0 | None | -10 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 514 | 5 | 2 | 5 | 4.1 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCC(=O)O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44419028 | 96880 | 17 | None | -1905 | 8 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| CHEMBL265858 | 96880 | 17 | None | -1905 | 8 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| 54580518 | 62360 | 0 | None | -177 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 691 | 9 | 0 | 10 | 4.9 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCN(C)CC4)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779420 | 62360 | 0 | None | -177 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 691 | 9 | 0 | 10 | 4.9 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCN(C)CC4)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 54580246 | 61825 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 568 | 12 | 1 | 5 | 3.9 | CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773863 | 61825 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 568 | 12 | 1 | 5 | 3.9 | CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| 54586150 | 61846 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 582 | 13 | 1 | 5 | 4.0 | CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)Cc2ccccc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773992 | 61846 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 582 | 13 | 1 | 5 | 4.0 | CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)Cc2ccccc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| 145976595 | 163691 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4205046 | 163691 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 54582268 | 61824 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 11 | 1 | 6 | 2.6 | COc1cc(C)c(S(=O)(=O)NCC(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773861 | 61824 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 11 | 1 | 6 | 2.6 | COc1cc(C)c(S(=O)(=O)NCC(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 16059348 | 118633 | 1 | None | -301 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 394 | 2 | 2 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416878 | 118633 | 1 | None | -301 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 394 | 2 | 2 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1021/jm501745f | ||
| CHEMBL410673 | 212808 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O | 10.1021/jm040871+ | ||||
| 44361403 | 33815 | 1 | None | 8 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 4.1 | CC(=O)N1CCCC(COc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)C1 | 10.1021/jm00023a002 | ||
| CHEMBL142324 | 33815 | 1 | None | 8 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 4.1 | CC(=O)N1CCCC(COc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)C1 | 10.1021/jm00023a002 | ||
| 118734428 | 118631 | 0 | None | 245 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 414 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)c1ccccc1CS2(=O)=O | 10.1021/jm501745f | ||
| CHEMBL3416876 | 118631 | 0 | None | 245 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 414 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)c1ccccc1CS2(=O)=O | 10.1021/jm501745f | ||
| 2198 | 3394 | 2 | None | -46 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 9807249 | 3394 | 2 | None | -46 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL1192593 | 3394 | 2 | None | -46 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44316235 | 160404 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1011 | 16 | 12 | 14 | -3.6 | C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL411148 | 160404 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1011 | 16 | 12 | 14 | -3.6 | C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 162660009 | 181281 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 436 | 2 | 0 | 6 | 4.3 | CC(=O)N1c2cc(Cl)ccc2-n2c(C3CCN(c4ccccn4)CC3)nnc2C1(C)C | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4762451 | 181281 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 436 | 2 | 0 | 6 | 4.3 | CC(=O)N1c2cc(Cl)ccc2-n2c(C3CCN(c4ccccn4)CC3)nnc2C1(C)C | 10.1016/j.bmcl.2020.127417 | ||
| 54582526 | 62359 | 0 | None | -63 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 9 | 1 | 9 | 4.9 | CNCc1ccc(OC)c([C@@]2(N3CCC[C@H]3c3ncco3)C(=O)N(S(=O)(=O)c3ccc(OC)cc3)c3ccc(Cl)cc32)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779419 | 62359 | 0 | None | -63 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 9 | 1 | 9 | 4.9 | CNCc1ccc(OC)c([C@@]2(N3CCC[C@H]3c3ncco3)C(=O)N(S(=O)(=O)c3ccc(OC)cc3)c3ccc(Cl)cc32)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 56676959 | 64023 | 0 | None | -3 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 485 | 8 | 2 | 3 | 4.2 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807269 | 64023 | 0 | None | -3 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 485 | 8 | 2 | 3 | 4.2 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 54584266 | 61153 | 0 | None | -380 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1145 | 20 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccccc2N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765664 | 61153 | 0 | None | -380 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1145 | 20 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccccc2N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 137189941 | 138053 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 560 | 12 | 1 | 8 | 5.2 | COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3765689 | 138053 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 560 | 12 | 1 | 8 | 5.2 | COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| 46890529 | 6703 | 0 | None | 47 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083730 | 6703 | 0 | None | 47 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| 162646888 | 179535 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 3 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4741743 | 179535 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 3 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 16109443 | 141694 | 0 | None | -131 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1040 | 18 | 14 | 15 | -4.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL385739 | 141694 | 0 | None | -131 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1040 | 18 | 14 | 15 | -4.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 56675151 | 63197 | 0 | None | -14 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1295 | 17 | 14 | 20 | 0.7 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790728 | 63197 | 0 | None | -14 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1295 | 17 | 14 | 20 | 0.7 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| 44325691 | 12966 | 0 | None | -239 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL1189693 | 12966 | 0 | None | -239 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL539285 | 12966 | 0 | None | -239 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 145955181 | 162387 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 538 | 6 | 3 | 8 | 4.4 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCc1ccccc1N1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL4166008 | 162387 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 538 | 6 | 3 | 8 | 4.4 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCc1ccccc1N1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| 54583310 | 63063 | 0 | None | -213 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1542 | 24 | 16 | 22 | 1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765665 | 63063 | 0 | None | -213 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1542 | 24 | 16 | 22 | 1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1789128 | 63063 | 0 | None | -213 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1542 | 24 | 16 | 22 | 1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 9959174 | 194464 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL487164 | 194464 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL528996 | 194464 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44428490 | 152060 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 743 | 10 | 1 | 6 | 5.7 | O=C(NCc1cccc(C(F)(F)F)c1)C(C(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL396757 | 152060 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 743 | 10 | 1 | 6 | 5.7 | O=C(NCc1cccc(C(F)(F)F)c1)C(C(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 54585220 | 61875 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 7 | 2 | 3 | 3.5 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774018 | 61875 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 7 | 2 | 3 | 3.5 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 162655579 | 180660 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 377 | 2 | 0 | 5 | 4.3 | Clc1ccc2c(c1)C1CC1c1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4755383 | 180660 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 377 | 2 | 0 | 5 | 4.3 | Clc1ccc2c(c1)C1CC1c1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 45483241 | 197893 | 0 | None | -9 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 643 | 12 | 1 | 8 | 4.2 | COc1cccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572983 | 197893 | 0 | None | -9 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 643 | 12 | 1 | 8 | 4.2 | COc1cccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 44335386 | 107983 | 0 | None | -14 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL319433 | 107983 | 0 | None | -14 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(02)00649-2 | ||
| 9981665 | 118451 | 4 | None | -70 | 6 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm901812z | ||
| CHEMBL341339 | 118451 | 4 | None | -70 | 6 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm901812z | ||
| CHEMBL5078950 | 214572 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | Cc1cccc2c1-n1c(nnc1[C@H]1CC[C@H](Oc3ccccn3)CC1)C[C@@H](O)C2 | 10.1021/acs.jmedchem.1c00863 | ||||
| 137212770 | 138029 | 0 | None | 28 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 532 | 10 | 1 | 8 | 4.4 | COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3765356 | 138029 | 0 | None | 28 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 532 | 10 | 1 | 8 | 4.4 | COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| 54584267 | 61155 | 0 | None | -426 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1154 | 25 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765667 | 61155 | 0 | None | -426 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1154 | 25 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 135916070 | 200950 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 418 | 2 | 1 | 6 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL601931 | 200950 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 418 | 2 | 1 | 6 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 59657691 | 118630 | 0 | None | 218 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 365 | 1 | 2 | 2 | 4.4 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)CNc1ccccc12 | 10.1021/jm501745f | ||
| CHEMBL3416875 | 118630 | 0 | None | 218 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 365 | 1 | 2 | 2 | 4.4 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)CNc1ccccc12 | 10.1021/jm501745f | ||
| 135506374 | 137875 | 23 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763342 | 137875 | 23 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| 135506374 | 137875 | 23 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL3763342 | 137875 | 23 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2017.10.059 | ||
| 135916070 | 200950 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 418 | 2 | 1 | 6 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 | 10.1021/jm901084f | ||
| CHEMBL601931 | 200950 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 418 | 2 | 1 | 6 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 | 10.1021/jm901084f | ||
| 44428512 | 158901 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 744 | 11 | 1 | 7 | 4.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CC(=O)N1CCN(N2CCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL409562 | 158901 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 744 | 11 | 1 | 7 | 4.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CC(=O)N1CCN(N2CCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 56663270 | 64014 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 8 | 1 | 3 | 4.1 | CN(C)CC1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807260 | 64014 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 8 | 1 | 3 | 4.1 | CN(C)CC1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 44316236 | 205502 | 0 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 997 | 16 | 12 | 14 | -4.0 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| CHEMBL80877 | 205502 | 0 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 997 | 16 | 12 | 14 | -4.0 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| 54584268 | 61158 | 0 | None | -338 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1226 | 29 | 13 | 16 | 0.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765671 | 61158 | 0 | None | -338 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1226 | 29 | 13 | 16 | 0.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 145970757 | 164761 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 1 | 5.0 | CCCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4218211 | 164761 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 1 | 5.0 | CCCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 162655687 | 180758 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 452 | 5 | 0 | 7 | 4.6 | COC(=O)CC1Cc2cc(Cl)ccc2-n2c1nnc2[C@H]1CC[C@H](Oc2ccccn2)CC1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4756354 | 180758 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 452 | 5 | 0 | 7 | 4.6 | COC(=O)CC1Cc2cc(Cl)ccc2-n2c1nnc2[C@H]1CC[C@H](Oc2ccccn2)CC1 | 10.1016/j.bmcl.2020.127417 | ||
| 42629369 | 182170 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 500 | 5 | 2 | 5 | 4.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL478283 | 182170 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 500 | 5 | 2 | 5 | 4.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 42629369 | 182170 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 500 | 5 | 2 | 5 | 4.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL478283 | 182170 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 500 | 5 | 2 | 5 | 4.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.10.038 | ||
| 44215484 | 178556 | 0 | None | 10 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 440 | 7 | 0 | 6 | 4.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCN1CCOCC1 | 10.1021/jm901812z | ||
| CHEMBL467154 | 178556 | 0 | None | 10 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 440 | 7 | 0 | 6 | 4.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCN1CCOCC1 | 10.1021/jm901812z | ||
| CHEMBL2369830 | 209674 | 0 | None | -66 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 56670127 | 64029 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 9 | 3 | 3 | 3.6 | O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807275 | 64029 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 9 | 3 | 3 | 3.6 | O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 16109441 | 137370 | 0 | None | -6309 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1026 | 19 | 12 | 15 | -2.8 | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL375323 | 137370 | 0 | None | -6309 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1026 | 19 | 12 | 15 | -2.8 | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 118734423 | 118614 | 0 | None | 4 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 389 | 5 | 1 | 3 | 4.4 | CCOc1ccc2ccccc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.6b01437 | ||
| CHEMBL3416858 | 118614 | 0 | None | 4 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 389 | 5 | 1 | 3 | 4.4 | CCOc1ccc2ccccc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.6b01437 | ||
| 118734423 | 118614 | 0 | None | 4 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 389 | 5 | 1 | 3 | 4.4 | CCOc1ccc2ccccc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416858 | 118614 | 0 | None | 4 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 389 | 5 | 1 | 3 | 4.4 | CCOc1ccc2ccccc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1 | 10.1021/jm501745f | ||
| 54580290 | 61865 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 473 | 7 | 2 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1Cl)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774008 | 61865 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 473 | 7 | 2 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1Cl)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 54581533 | 62358 | 0 | None | -144 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 636 | 9 | 0 | 9 | 5.2 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN(C)C)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779418 | 62358 | 0 | None | -144 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 636 | 9 | 0 | 9 | 5.2 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN(C)C)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 11092056 | 107011 | 0 | None | 354 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 481 | 9 | 0 | 6 | 5.3 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL315524 | 107011 | 0 | None | 354 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 481 | 9 | 0 | 6 | 5.3 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 44325895 | 207885 | 0 | None | -19 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL96731 | 207885 | 0 | None | -19 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 16109438 | 96548 | 0 | None | -954 | 5 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 1051 | 17 | 11 | 14 | -1.0 | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL263090 | 96548 | 0 | None | -954 | 5 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 1051 | 17 | 11 | 14 | -1.0 | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 158348 | 3461 | 18 | None | -1318 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 10.1021/acs.jmedchem.8b01320 | ||
| 2199 | 3461 | 18 | None | -1318 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4283439 | 3461 | 18 | None | -1318 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 10.1021/acs.jmedchem.8b01320 | ||
| DB14923 | 3461 | 18 | None | -1318 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 10.1021/acs.jmedchem.8b01320 | ||
| 59429650 | 118619 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 438 | 5 | 1 | 3 | 5.2 | Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 | 10.1021/acs.jmedchem.6b01437 | ||
| CHEMBL3416864 | 118619 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 438 | 5 | 1 | 3 | 5.2 | Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 | 10.1021/acs.jmedchem.6b01437 | ||
| 59429650 | 118619 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 438 | 5 | 1 | 3 | 5.2 | Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 | 10.1021/jm501745f | ||
| CHEMBL3416864 | 118619 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 438 | 5 | 1 | 3 | 5.2 | Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 | 10.1021/jm501745f | ||
| 216237 | 3814 | 89 | None | -23 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00567 | ||
| 2226 | 3814 | 89 | None | -23 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00567 | ||
| 4110 | 3814 | 89 | None | -23 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL344159 | 3814 | 89 | None | -23 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00567 | ||
| 25001929 | 118626 | 0 | None | -331 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccncc12 | 10.1021/jm501745f | ||
| CHEMBL3416871 | 118626 | 0 | None | -331 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccncc12 | 10.1021/jm501745f | ||
| 162656299 | 180927 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 474 | 2 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)c3ccccc3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4758331 | 180927 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 474 | 2 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)c3ccccc3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162658817 | 180967 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 1 | 1 | 3 | 3.5 | Cc1ccccc1N1CCN(C(=O)N2CNCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4758799 | 180967 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 1 | 1 | 3 | 3.5 | Cc1ccccc1N1CCN(C(=O)N2CNCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162658968 | 181258 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 384 | 1 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CN(C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4762200 | 181258 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 384 | 1 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CN(C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162643184 | 181654 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 1 | 1 | 2 | 4.9 | Cc1ccccc1C1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4776471 | 181654 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 1 | 1 | 2 | 4.9 | Cc1ccccc1C1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 56663272 | 64017 | 0 | None | 67 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 8 | 2 | 2 | 3.8 | CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807263 | 64017 | 0 | None | 67 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 8 | 2 | 2 | 3.8 | CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.05.092 | ||
| 10187283 | 206190 | 0 | None | 20 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 543 | 7 | 0 | 6 | 5.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCc1ccc(C(=O)N2CCN(C)CC2)cc1 | 10.1021/jm010544r | ||
| CHEMBL86577 | 206190 | 0 | None | 20 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 543 | 7 | 0 | 6 | 5.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCc1ccc(C(=O)N2CCN(C)CC2)cc1 | 10.1021/jm010544r | ||
| 54581300 | 61878 | 0 | None | 41 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 501 | 7 | 2 | 3 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(C)(C)c1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774021 | 61878 | 0 | None | 41 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 501 | 7 | 2 | 3 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(C)(C)c1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 44274849 | 97209 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc21 | 10.1021/jm9804782 | ||
| 91931060 | 97209 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc21 | 10.1021/jm9804782 | ||
| CHEMBL268664 | 97209 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc21 | 10.1021/jm9804782 | ||
| 162669344 | 182662 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 438 | 2 | 0 | 3 | 4.1 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4789306 | 182662 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 438 | 2 | 0 | 3 | 4.1 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 44428487 | 169004 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 743 | 10 | 1 | 6 | 5.7 | O=C(NCc1cccc(C(F)(F)F)c1)C(C(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL439398 | 169004 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 743 | 10 | 1 | 6 | 5.7 | O=C(NCc1cccc(C(F)(F)F)c1)C(C(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL562961 | 215722 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01320 | ||||
| 11237434 | 66030 | 10 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL1837037 | 66030 | 10 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||
| 44428493 | 142083 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 766 | 12 | 2 | 6 | 5.8 | N[C@H]1CC[N+](Cc2ccccc2)(C(=O)C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)C1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL388258 | 142083 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 766 | 12 | 2 | 6 | 5.8 | N[C@H]1CC[N+](Cc2ccccc2)(C(=O)C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)C1 | 10.1016/j.bmc.2006.12.031 | ||
| 44428507 | 158723 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CC(=O)N1CCC(CN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL409370 | 158723 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CC(=O)N1CCC(CN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 2252 | 2218 | 48 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| 6918320 | 2218 | 48 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| CHEMBL24781 | 2218 | 48 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| 2252 | 2218 | 48 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| 6918320 | 2218 | 48 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| CHEMBL24781 | 2218 | 48 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| 46890706 | 6987 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 419 | 3 | 0 | 3 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cc2ccccc2s1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084801 | 6987 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 419 | 3 | 0 | 3 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cc2ccccc2s1 | 10.1016/j.bmcl.2010.04.068 | ||
| 16051933 | 138105 | 4 | None | -19 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm030611c | ||
| CHEMBL376685 | 138105 | 4 | None | -19 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm030611c | ||
| 46890656 | 7103 | 0 | None | 177 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 403 | 3 | 0 | 3 | 6.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1coc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085301 | 7103 | 0 | None | 177 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 403 | 3 | 0 | 3 | 6.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1coc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL562961 | 215722 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01320 | ||||
| 145986380 | 167069 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -3.8 | COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2C[Se]C[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4289837 | 167069 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1206 | 34 | 16 | 14 | -3.8 | COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2C[Se]C[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1021/acs.jmedchem.8b01320 | ||
| 56678446 | 63184 | 0 | None | -18 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1125 | 16 | 13 | 16 | -0.3 | CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790712 | 63184 | 0 | None | -18 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1125 | 16 | 13 | 16 | -0.3 | CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm061404q | ||||
| 46890571 | 7325 | 0 | None | 177 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(C)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086293 | 7325 | 0 | None | 177 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(C)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 56657866 | 63183 | 0 | None | -75 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1281 | 16 | 14 | 20 | 0.3 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790711 | 63183 | 0 | None | -75 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1281 | 16 | 14 | 20 | 0.3 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| 44428497 | 93028 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 757 | 11 | 1 | 6 | 6.0 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL244227 | 93028 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 757 | 11 | 1 | 6 | 6.0 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44428496 | 143417 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 744 | 11 | 1 | 7 | 4.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCN(N2CCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL389828 | 143417 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 744 | 11 | 1 | 7 | 4.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCN(N2CCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 24894463 | 150653 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.4 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CCC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL395579 | 150653 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.4 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CCC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL5079921 | 214630 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | Cc1cccc2c1-n1c(nnc1C1CCN(c3ccccc3)CC1)C[C@@H](O)C2 | 10.1021/acs.jmedchem.1c00863 | ||||
| 145961670 | 161340 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1139 | 19 | 14 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4126100 | 161340 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1139 | 19 | 14 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 44520855 | 179350 | 0 | None | -5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 561 | 5 | 1 | 5 | 5.9 | Cc1cccc(CNC(=O)/C=C2/c3ccccc3N(C(=O)c3ccc(-n4ccc(C)n4)cc3Cl)CCC2(F)F)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL473872 | 179350 | 0 | None | -5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 561 | 5 | 1 | 5 | 5.9 | Cc1cccc(CNC(=O)/C=C2/c3ccccc3N(C(=O)c3ccc(-n4ccc(C)n4)cc3Cl)CCC2(F)F)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44325703 | 111376 | 0 | None | -75 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(O)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL327242 | 111376 | 0 | None | -75 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(O)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 54586924 | 61752 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 592 | 12 | 1 | 6 | 4.3 | COc1cc(C)c(S(=O)(=O)N[C@H](C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773080 | 61752 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 592 | 12 | 1 | 6 | 4.3 | COc1cc(C)c(S(=O)(=O)N[C@H](C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 1134581 | 9862 | 8 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 444 | 7 | 1 | 4 | 4.5 | COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL114302 | 9862 | 8 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 444 | 7 | 1 | 4 | 4.5 | COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| 158348 | 3461 | 18 | None | -1318 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 10.1021/acs.jmedchem.8b01320 | ||
| 2199 | 3461 | 18 | None | -1318 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4283439 | 3461 | 18 | None | -1318 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 10.1021/acs.jmedchem.8b01320 | ||
| DB14923 | 3461 | 18 | None | -1318 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 10.1021/acs.jmedchem.8b01320 | ||
| 44361406 | 34984 | 0 | None | 4 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 451 | 7 | 1 | 5 | 3.4 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL143304 | 34984 | 0 | None | 4 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 451 | 7 | 1 | 5 | 3.4 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 162644579 | 179443 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 3.3 | C[C@@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4740795 | 179443 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 3.3 | C[C@@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| 45483204 | 197864 | 0 | None | -11 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204126 | 197864 | 0 | None | -11 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204403 | 197864 | 0 | None | -11 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572709 | 197864 | 0 | None | -11 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 46890153 | 6818 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 457 | 2 | 0 | 2 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(Cl)c(-c3csc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084069 | 6818 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 457 | 2 | 0 | 2 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(Cl)c(-c3csc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 44419026 | 168475 | 17 | None | -1230 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL435323 | 168475 | 17 | None | -1230 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 56663269 | 64011 | 0 | None | -67 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 7 | 3 | 3 | 3.1 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCNCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807257 | 64011 | 0 | None | -67 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 7 | 3 | 3 | 3.1 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCNCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 114904 | 2933 | 56 | None | 7 | 7 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm000108p | ||
| 2196 | 2933 | 56 | None | 7 | 7 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm000108p | ||
| CHEMBL296908 | 2933 | 56 | None | 7 | 7 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm000108p | ||
| 114904 | 2933 | 56 | None | 7 | 7 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00023a002 | ||
| 2196 | 2933 | 56 | None | 7 | 7 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00023a002 | ||
| CHEMBL296908 | 2933 | 56 | None | 7 | 7 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00023a002 | ||
| 216237 | 3814 | 89 | None | -23 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | ||
| 2226 | 3814 | 89 | None | -23 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | ||
| 4110 | 3814 | 89 | None | -23 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL344159 | 3814 | 89 | None | -23 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | ||
| 15952030 | 118622 | 0 | None | 208 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 332 | 1 | 1 | 2 | 3.8 | O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| CHEMBL3416867 | 118622 | 0 | None | 208 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 332 | 1 | 1 | 2 | 3.8 | O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| 17757748 | 118632 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 1 | 2 | 3 | 4.5 | O=C1Nc2ccccc2C2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)O1 | 10.1021/jm501745f | ||
| CHEMBL3416877 | 118632 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 1 | 2 | 3 | 4.5 | O=C1Nc2ccccc2C2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)O1 | 10.1021/jm501745f | ||
| 114904 | 2933 | 56 | None | 7 | 7 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm901812z | ||
| 2196 | 2933 | 56 | None | 7 | 7 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm901812z | ||
| CHEMBL296908 | 2933 | 56 | None | 7 | 7 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm901812z | ||
| 10304617 | 206204 | 0 | None | -32 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 625 | 8 | 0 | 6 | 7.9 | Cc1cccc(OCc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL86667 | 206204 | 0 | None | -32 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 625 | 8 | 0 | 6 | 7.9 | Cc1cccc(OCc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| 2252 | 2218 | 48 | None | -851 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(99)00181-x | ||
| 6918320 | 2218 | 48 | None | -851 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24781 | 2218 | 48 | None | -851 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(99)00181-x | ||
| 2252 | 2218 | 48 | None | -851 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| 6918320 | 2218 | 48 | None | -851 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| CHEMBL24781 | 2218 | 48 | None | -851 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| 2252 | 2218 | 48 | None | -851 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| 6918320 | 2218 | 48 | None | -851 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| CHEMBL24781 | 2218 | 48 | None | -851 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| 2253 | 2219 | 20 | None | -4168 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| 5311202 | 2219 | 20 | None | -4168 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| CHEMBL306645 | 2219 | 20 | None | -4168 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| 135475964 | 72847 | 0 | None | -53 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 467 | 9 | 2 | 6 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL200329 | 72847 | 0 | None | -53 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 467 | 9 | 2 | 6 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 999998 | 140606 | 11 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 420 | 5 | 0 | 3 | 3.8 | Cc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL381433 | 140606 | 11 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 420 | 5 | 0 | 3 | 3.8 | Cc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| 44428548 | 92267 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 793 | 14 | 1 | 6 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CCC(=O)N1CCN(CCc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL242728 | 92267 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 793 | 14 | 1 | 6 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CCC(=O)N1CCN(CCc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 45483237 | 198740 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 619 | 11 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccsc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL583082 | 198740 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 619 | 11 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccsc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 46890261 | 6653 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 562 | 3 | 0 | 2 | 9.6 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)c(Cl)c3Cl)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083479 | 6653 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 562 | 3 | 0 | 2 | 9.6 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)c(Cl)c3Cl)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 54580291 | 61869 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 507 | 7 | 2 | 3 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1Cl)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774011 | 61869 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 507 | 7 | 2 | 3 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1Cl)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 135413563 | 122904 | 25 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| CHEMBL360648 | 122904 | 25 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| 52947354 | 16963 | 12 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 4 | 1 | 4 | 2.9 | CO/N=C1/C[C@@H](CO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 | 10.1021/jm901812z | ||
| CHEMBL1254025 | 16963 | 12 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 4 | 1 | 4 | 2.9 | CO/N=C1/C[C@@H](CO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 | 10.1021/jm901812z | ||
| 16109446 | 136580 | 0 | None | -8709 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 983 | 15 | 11 | 14 | -2.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL373968 | 136580 | 0 | None | -8709 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 983 | 15 | 11 | 14 | -2.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 145959434 | 162102 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 566 | 8 | 1 | 8 | 5.0 | COc1cc(CN2CCN(c3cccc(CCC(=O)N4Cc5cnn(C)c5Nc5ccccc54)c3)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL4161507 | 162102 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 566 | 8 | 1 | 8 | 5.0 | COc1cc(CN2CCN(c3cccc(CCC(=O)N4Cc5cnn(C)c5Nc5ccccc54)c3)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| 44314342 | 103059 | 0 | None | 6 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 604 | 7 | 1 | 5 | 6.9 | Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2-c2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL307487 | 103059 | 0 | None | 6 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 604 | 7 | 1 | 5 | 6.9 | Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2-c2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| 54583264 | 61853 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 424 | 7 | 2 | 4 | 2.9 | CNC(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773999 | 61853 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 424 | 7 | 2 | 4 | 2.9 | CNC(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 145978570 | 163795 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.2 | Cc1ccn(-c2ccc(C(=O)N3CCCCc4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4206233 | 163795 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.2 | Cc1ccn(-c2ccc(C(=O)N3CCCCc4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL5085869 | 214973 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | Cc1ccc2c(c1)-n1c(nnc1[C@H]1CC[C@H](Oc3ccccn3)CC1)CC(O)C2 | 10.1021/acs.jmedchem.1c00863 | ||||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 44325695 | 167982 | 0 | None | -1230 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1cccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL432043 | 167982 | 0 | None | -1230 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1cccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 3537 | 3973 | 22 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 5311500 | 3973 | 22 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL363910 | 3973 | 22 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 3537 | 3973 | 22 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| 5311500 | 3973 | 22 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| CHEMBL363910 | 3973 | 22 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| 114904 | 2933 | 56 | None | -301 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/np50112a001 | ||
| 2196 | 2933 | 56 | None | -301 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/np50112a001 | ||
| CHEMBL296908 | 2933 | 56 | None | -301 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/np50112a001 | ||
| 46890486 | 6999 | 0 | None | 28 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 361 | 2 | 0 | 1 | 6.0 | Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084824 | 6999 | 0 | None | 28 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 361 | 2 | 0 | 1 | 6.0 | Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL2369834 | 209676 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| CHEMBL2369842 | 209684 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 44361406 | 34984 | 0 | None | -1174 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 451 | 7 | 1 | 5 | 3.4 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL143304 | 34984 | 0 | None | -1174 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 451 | 7 | 1 | 5 | 3.4 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 135520373 | 79041 | 0 | None | -56 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 513 | 8 | 2 | 7 | 2.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113202 | 79041 | 0 | None | -56 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 513 | 8 | 2 | 7 | 2.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 45483320 | 198198 | 0 | None | -2 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 543 | 7 | 1 | 5 | 5.1 | O=C(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575359 | 198198 | 0 | None | -2 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 543 | 7 | 1 | 5 | 5.1 | O=C(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 118734334 | 118571 | 0 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416767 | 118571 | 0 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 135916059 | 201066 | 0 | None | -5 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 513 | 4 | 2 | 5 | 6.6 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| CHEMBL602872 | 201066 | 0 | None | -5 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 513 | 4 | 2 | 5 | 6.6 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| 2241 | 2206 | 1 | None | -117 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| 9810632 | 2206 | 1 | None | -117 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| CHEMBL127686 | 2206 | 1 | None | -117 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| 45483204 | 197864 | 0 | None | -40 | 5 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204126 | 197864 | 0 | None | -40 | 5 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204403 | 197864 | 0 | None | -40 | 5 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572709 | 197864 | 0 | None | -40 | 5 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 135461099 | 79055 | 0 | None | -177 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 506 | 9 | 2 | 6 | 3.5 | CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113216 | 79055 | 0 | None | -177 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 506 | 9 | 2 | 6 | 3.5 | CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 44520857 | 179438 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 562 | 5 | 2 | 6 | 5.2 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(N)n4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL474072 | 179438 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 562 | 5 | 2 | 6 | 5.2 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(N)n4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44321415 | 112288 | 0 | None | 269 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 467 | 8 | 0 | 6 | 4.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL329209 | 112288 | 0 | None | 269 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 467 | 8 | 0 | 6 | 4.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 46890288 | 7393 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 528 | 3 | 0 | 2 | 8.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)cc3Cl)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086574 | 7393 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 528 | 3 | 0 | 2 | 8.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)cc3Cl)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 46890708 | 6696 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 453 | 3 | 0 | 3 | 7.3 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2c1oc1ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083704 | 6696 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 453 | 3 | 0 | 3 | 7.3 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2c1oc1ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 54580293 | 61876 | 0 | None | -53 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.7 | Cc1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774019 | 61876 | 0 | None | -53 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.7 | Cc1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1 | 10.1016/j.bmcl.2011.02.096 | ||
| 44419030 | 161590 | 19 | None | -23988 | 4 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 1025 | 18 | 11 | 14 | -1.5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL412972 | 161590 | 19 | None | -23988 | 4 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 1025 | 18 | 11 | 14 | -1.5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 44361403 | 33815 | 1 | None | -1584 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 4.1 | CC(=O)N1CCCC(COc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)C1 | 10.1021/jm00023a002 | ||
| CHEMBL142324 | 33815 | 1 | None | -1584 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 4.1 | CC(=O)N1CCCC(COc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)C1 | 10.1021/jm00023a002 | ||
| 54582318 | 61156 | 0 | None | -102 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1210 | 29 | 12 | 15 | 1.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765668 | 61156 | 0 | None | -102 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1210 | 29 | 12 | 15 | 1.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 11257380 | 178590 | 0 | None | -64 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1021/jm901812z | ||
| CHEMBL467378 | 178590 | 0 | None | -64 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1021/jm901812z | ||
| 25001616 | 118627 | 0 | None | 123 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ncccc12 | 10.1021/jm501745f | ||
| CHEMBL3416872 | 118627 | 0 | None | 123 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ncccc12 | 10.1021/jm501745f | ||
| 59657596 | 118640 | 31 | None | -16 | 2 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| CHEMBL3416885 | 118640 | 31 | None | -16 | 2 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | ||
| 44520850 | 199841 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 537 | 5 | 2 | 4 | 4.7 | C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL594488 | 199841 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 537 | 5 | 2 | 4 | 4.7 | C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| 10929819 | 106917 | 0 | None | 371 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 565 | 15 | 0 | 6 | 7.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL314908 | 106917 | 0 | None | 371 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 565 | 15 | 0 | 6 | 7.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 54584253 | 61871 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 507 | 7 | 2 | 3 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1Cl)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774013 | 61871 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 507 | 7 | 2 | 3 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1Cl)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 56663273 | 64036 | 0 | None | -28 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCCC1O | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807281 | 64036 | 0 | None | -28 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCCC1O | 10.1016/j.bmcl.2011.05.092 | ||
| 118734426 | 118620 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 452 | 4 | 1 | 4 | 4.8 | Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1C(=O)c1ccccc1 | 10.1021/jm501745f | ||
| CHEMBL3416865 | 118620 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 452 | 4 | 1 | 4 | 4.8 | Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1C(=O)c1ccccc1 | 10.1021/jm501745f | ||
| 45483239 | 197869 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 631 | 11 | 1 | 7 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccc(F)cc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572760 | 197869 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 631 | 11 | 1 | 7 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccc(F)cc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 135475778 | 79049 | 0 | None | -223 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 540 | 10 | 2 | 6 | 4.2 | CCCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113210 | 79049 | 0 | None | -223 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 540 | 10 | 2 | 6 | 4.2 | CCCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 44279590 | 110317 | 0 | None | -1000 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 609 | 6 | 1 | 8 | 4.1 | O=C(Cn1cnc(C(F)(F)F)cc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL32404 | 110317 | 0 | None | -1000 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 609 | 6 | 1 | 8 | 4.1 | O=C(Cn1cnc(C(F)(F)F)cc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 15951937 | 118617 | 0 | None | 251 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 366 | 1 | 1 | 2 | 4.5 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/acs.jmedchem.6b01437 | ||
| CHEMBL3416861 | 118617 | 0 | None | 251 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 366 | 1 | 1 | 2 | 4.5 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/acs.jmedchem.6b01437 | ||
| 15951937 | 118617 | 0 | None | 251 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 366 | 1 | 1 | 2 | 4.5 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| CHEMBL3416861 | 118617 | 0 | None | 251 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 366 | 1 | 1 | 2 | 4.5 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| 118734429 | 118639 | 0 | None | 2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 463 | 2 | 0 | 4 | 5.2 | CN1CCC(n2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416884 | 118639 | 0 | None | 2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 463 | 2 | 0 | 4 | 5.2 | CN1CCC(n2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 | 10.1021/jm501745f | ||
| 162647523 | 179753 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 428 | 2 | 1 | 4 | 2.7 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)CO)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4744606 | 179753 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 428 | 2 | 1 | 4 | 2.7 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)CO)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162648022 | 179950 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 479 | 3 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4746818 | 179950 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 479 | 3 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162658540 | 181079 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 369 | 1 | 0 | 2 | 4.3 | Cc1ccccc1N1CCN(C(=O)N2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4760164 | 181079 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 369 | 1 | 0 | 2 | 4.3 | Cc1ccccc1N1CCN(C(=O)N2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162665294 | 182349 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 383 | 0 | 1 | 3 | 4.2 | O=C(N1CCC2(CC1)OCc1ccccc12)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4785083 | 182349 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 383 | 0 | 1 | 3 | 4.2 | O=C(N1CCC2(CC1)OCc1ccccc12)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| 10278394 | 206160 | 0 | None | 1202 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 10 | 0 | 6 | 5.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL86384 | 206160 | 0 | None | 1202 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 10 | 0 | 6 | 5.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 162667594 | 182503 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 370 | 1 | 1 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4787242 | 182503 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 370 | 1 | 1 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 54586172 | 61881 | 0 | None | -7 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 485 | 7 | 3 | 3 | 4.2 | O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774024 | 61881 | 0 | None | -7 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 485 | 7 | 3 | 3 | 4.2 | O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| 56676960 | 64033 | 0 | None | 75 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCC(O)C1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807279 | 64033 | 0 | None | 75 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCC(O)C1 | 10.1016/j.bmcl.2011.05.092 | ||
| 53349471 | 118577 | 0 | None | 22 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1016/j.bmcl.2017.11.050 | ||
| CHEMBL3416774 | 118577 | 0 | None | 22 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1016/j.bmcl.2017.11.050 | ||
| 53349471 | 118577 | 0 | None | 22 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416774 | 118577 | 0 | None | 22 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 46890614 | 6641 | 0 | None | 416 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 397 | 3 | 0 | 2 | 6.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083443 | 6641 | 0 | None | 416 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 397 | 3 | 0 | 2 | 6.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 44428545 | 93264 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 839 | 12 | 1 | 6 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL245115 | 93264 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 839 | 12 | 1 | 6 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 10142915 | 206397 | 0 | None | 549 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 523 | 12 | 0 | 6 | 6.5 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL87887 | 206397 | 0 | None | 549 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 523 | 12 | 0 | 6 | 6.5 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 56663269 | 64011 | 0 | None | 67 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 433 | 7 | 3 | 3 | 3.1 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCNCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807257 | 64011 | 0 | None | 67 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 433 | 7 | 3 | 3 | 3.1 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCNCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 137642420 | 158036 | 0 | None | 11 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4086079 | 158036 | 0 | None | 11 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 2213 | 517 | 46 | None | 28 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 3008 | 517 | 46 | None | 28 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 5311010 | 517 | 46 | None | 28 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| CHEMBL382301 | 517 | 46 | None | 28 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| DB09059 | 517 | 46 | None | 28 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 54587187 | 61870 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 507 | 7 | 2 | 3 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)c(Cl)c1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774012 | 61870 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 507 | 7 | 2 | 3 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)c(Cl)c1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 56683606 | 64025 | 0 | None | -19 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 499 | 8 | 2 | 3 | 4.6 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CCC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807271 | 64025 | 0 | None | -19 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 499 | 8 | 2 | 3 | 4.6 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CCC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 44314552 | 205027 | 0 | None | 18 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 628 | 12 | 1 | 6 | 6.8 | Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCCCCCC(=O)N2CCC(N3CCCCC3)CC2)c1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL77105 | 205027 | 0 | None | 18 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 628 | 12 | 1 | 6 | 6.8 | Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCCCCCC(=O)N2CCC(N3CCCCC3)CC2)c1 | 10.1016/s0960-894x(01)00723-5 | ||
| 162648022 | 179950 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 479 | 3 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4746818 | 179950 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 479 | 3 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 10119966 | 185364 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccnc4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL486064 | 185364 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccnc4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520871 | 192589 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 513 | 5 | 2 | 5 | 3.5 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCC(N)=O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL521597 | 192589 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 513 | 5 | 2 | 5 | 3.5 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCC(N)=O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 10392505 | 108565 | 0 | None | -4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 539 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL320416 | 108565 | 0 | None | -4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 539 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00649-2 | ||
| 46890152 | 6721 | 0 | None | 3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 457 | 2 | 0 | 2 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3csc4ccccc34)c(Cl)c2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083765 | 6721 | 0 | None | 3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 457 | 2 | 0 | 2 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3csc4ccccc34)c(Cl)c2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 162666950 | 182459 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 450 | 4 | 0 | 7 | 4.3 | COC(=O)C12CC1c1cc(Cl)ccc1-n1c2nnc1[C@H]1CC[C@H](Oc2ccccn2)CC1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4786739 | 182459 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 450 | 4 | 0 | 7 | 4.3 | COC(=O)C12CC1c1cc(Cl)ccc1-n1c2nnc1[C@H]1CC[C@H](Oc2ccccn2)CC1 | 10.1016/j.bmcl.2020.127417 | ||
| 137212769 | 137894 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 518 | 9 | 1 | 8 | 4.0 | COc1cc(CN2CCN(CCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763620 | 137894 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 518 | 9 | 1 | 8 | 4.0 | COc1cc(CN2CCN(CCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| 59657616 | 118623 | 0 | None | -40 | 2 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 506 | 3 | 0 | 5 | 3.7 | CN1CCN(C(=O)Cn2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416868 | 118623 | 0 | None | -40 | 2 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 506 | 3 | 0 | 5 | 3.7 | CN1CCN(C(=O)Cn2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 | 10.1021/jm501745f | ||
| 44325766 | 112532 | 0 | None | -109 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 571 | 4 | 1 | 4 | 7.0 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL330005 | 112532 | 0 | None | -109 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 571 | 4 | 1 | 4 | 7.0 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 167519 | 189176 | 16 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 220 | 1 | 1 | 1 | 3.4 | C=C1[C@H]2CC[C@H](CO)[C@@]23CC[C@H](C3)C1(C)C | 10.1021/np50112a001 | ||
| CHEMBL511334 | 189176 | 16 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 220 | 1 | 1 | 1 | 3.4 | C=C1[C@H]2CC[C@H](CO)[C@@]23CC[C@H](C3)C1(C)C | 10.1021/np50112a001 | ||
| 135413562 | 2193 | 15 | None | -16 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm050645f | ||
| 2194 | 2193 | 15 | None | -16 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm050645f | ||
| CHEMBL445816 | 2193 | 15 | None | -16 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm050645f | ||
| 44325538 | 112534 | 0 | None | -616 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccc(O)cc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL330016 | 112534 | 0 | None | -616 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccc(O)cc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44520861 | 180795 | 0 | None | -12 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccnn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL475684 | 180795 | 0 | None | -12 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccnn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520863 | 181832 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 553 | 5 | 1 | 6 | 5.7 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nccs4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL477868 | 181832 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 553 | 5 | 1 | 6 | 5.7 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nccs4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520854 | 191909 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 546 | 5 | 1 | 4 | 6.2 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccc4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL520040 | 191909 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 546 | 5 | 1 | 4 | 6.2 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccc4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520852 | 199685 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 537 | 5 | 2 | 4 | 4.7 | C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL593325 | 199685 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 537 | 5 | 2 | 4 | 4.7 | C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL2369835 | 209677 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 135446053 | 79054 | 1 | None | -21 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 478 | 7 | 2 | 6 | 2.7 | COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113215 | 79054 | 1 | None | -21 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 478 | 7 | 2 | 6 | 2.7 | COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 44520862 | 189582 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccncn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL514772 | 189582 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccncn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 172997 | 2318 | 57 | None | -64 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| 2238 | 2318 | 57 | None | -64 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL49429 | 2318 | 57 | None | -64 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| DB06666 | 2318 | 57 | None | -64 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| 44316241 | 97160 | 0 | None | -190 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1053 | 18 | 12 | 14 | -2.6 | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL268306 | 97160 | 0 | None | -190 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1053 | 18 | 12 | 14 | -2.6 | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 162646174 | 179670 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 396 | 1 | 0 | 3 | 3.2 | CC(=O)N1CCN(C(=O)N2CCN(c3ccccc3C)CC2)c2ccc(F)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4743673 | 179670 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 396 | 1 | 0 | 3 | 3.2 | CC(=O)N1CCN(C(=O)N2CCN(c3ccccc3C)CC2)c2ccc(F)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| 16109444 | 161425 | 0 | None | -5495 | 5 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 1037 | 16 | 11 | 14 | -1.3 | NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL412742 | 161425 | 0 | None | -5495 | 5 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 1037 | 16 | 11 | 14 | -1.3 | NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 46890187 | 7222 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 451 | 2 | 0 | 1 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(Cl)c(-c3cccc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085851 | 7222 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 451 | 2 | 0 | 1 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(Cl)c(-c3cccc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 137212774 | 138047 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 504 | 8 | 3 | 8 | 3.8 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3765525 | 138047 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 504 | 8 | 3 | 8 | 3.8 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2015.11.050 | ||
| 44419027 | 161758 | 6 | None | -6 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1053 | 19 | 13 | 15 | -4.4 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2cccnc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL414074 | 161758 | 6 | None | -6 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1053 | 19 | 13 | 15 | -4.4 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2cccnc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 46890488 | 6867 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)ccc1-c1ccccc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084308 | 6867 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)ccc1-c1ccccc1C | 10.1016/j.bmcl.2010.04.068 | ||
| 45483282 | 197010 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 543 | 9 | 1 | 5 | 5.9 | O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1CCCN1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL567176 | 197010 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 543 | 9 | 1 | 5 | 5.9 | O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1CCCN1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 44400363 | 10266 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1533 | 40 | 16 | 17 | -2.0 | COc1ccc(C[C@@H](NC(=O)C(N)Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 | 10.1021/jm040871+ | ||
| 91936753 | 10266 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1533 | 40 | 16 | 17 | -2.0 | COc1ccc(C[C@@H](NC(=O)C(N)Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 | 10.1021/jm040871+ | ||
| CHEMBL1161782 | 10266 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1533 | 40 | 16 | 17 | -2.0 | COc1ccc(C[C@@H](NC(=O)C(N)Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 | 10.1021/jm040871+ | ||
| CHEMBL2369837 | 209679 | 0 | None | -257 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 3537 | 3973 | 22 | None | -9 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 5311500 | 3973 | 22 | None | -9 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL363910 | 3973 | 22 | None | -9 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 137212773 | 137977 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 490 | 7 | 3 | 8 | 3.4 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3764572 | 137977 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 490 | 7 | 3 | 8 | 3.4 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2015.11.050 | ||
| 44520856 | 189003 | 0 | None | -2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 577 | 6 | 1 | 6 | 5.6 | COc1cccc(CNC(=O)/C=C2/c3ccccc3N(C(=O)c3ccc(-n4ccc(C)n4)cc3Cl)CCC2(F)F)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL509183 | 189003 | 0 | None | -2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 577 | 6 | 1 | 6 | 5.6 | COc1cccc(CNC(=O)/C=C2/c3ccccc3N(C(=O)c3ccc(-n4ccc(C)n4)cc3Cl)CCC2(F)F)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 54582310 | 61872 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 439 | 7 | 2 | 3 | 3.4 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774014 | 61872 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 439 | 7 | 2 | 3 | 3.4 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 135466581 | 79038 | 0 | None | -120 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113198 | 79038 | 0 | None | -120 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 118734335 | 118572 | 0 | None | 18 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416768 | 118572 | 0 | None | 18 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 47177173 | 164418 | 1 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 377 | 1 | 0 | 1 | 4.3 | O=C(c1ccc(I)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4213812 | 164418 | 1 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 377 | 1 | 0 | 1 | 4.3 | O=C(c1ccc(I)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 44520858 | 174394 | 0 | None | -4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 590 | 6 | 1 | 6 | 5.7 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(N(C)C)n4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL455279 | 174394 | 0 | None | -4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 590 | 6 | 1 | 6 | 5.7 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(N(C)C)n4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL2369836 | 209678 | 0 | None | -91 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 54581268 | 61862 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 533 | 8 | 2 | 5 | 3.9 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774005 | 61862 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 533 | 8 | 2 | 5 | 3.9 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 57520031 | 73627 | 0 | None | -169 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 3.0 | COc1cc(OC2CCN(S(C)(=O)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017979 | 73627 | 0 | None | -169 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 3.0 | COc1cc(OC2CCN(S(C)(=O)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 45483242 | 197876 | 0 | None | -6 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 627 | 11 | 1 | 7 | 4.7 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC(C)c3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572835 | 197876 | 0 | None | -6 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 627 | 11 | 1 | 7 | 4.7 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC(C)c3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 25001616 | 118627 | 0 | None | -123 | 2 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ncccc12 | 10.1021/jm501745f | ||
| CHEMBL3416872 | 118627 | 0 | None | -123 | 2 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ncccc12 | 10.1021/jm501745f | ||
| 45483243 | 197894 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 627 | 12 | 1 | 7 | 4.2 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCc3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572984 | 197894 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 627 | 12 | 1 | 7 | 4.2 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCc3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 54586390 | 62344 | 0 | None | -23 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 630 | 8 | 1 | 10 | 2.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cnccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779402 | 62344 | 0 | None | -23 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 630 | 8 | 1 | 10 | 2.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cnccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 9849525 | 111399 | 0 | None | -61 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL327365 | 111399 | 0 | None | -61 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 46890289 | 7394 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 558 | 4 | 0 | 3 | 8.9 | COc1cc(-c2cccc3cccnc23)c(Cl)cc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086575 | 7394 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 558 | 4 | 0 | 3 | 8.9 | COc1cc(-c2cccc3cccnc23)c(Cl)cc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 44325689 | 206837 | 0 | None | -44 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL90657 | 206837 | 0 | None | -44 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44314081 | 204944 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 620 | 8 | 1 | 6 | 7.0 | Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2Oc2cccc(C(=O)N3CCC(N4CCCCC4)CC3)c2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL76498 | 204944 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 620 | 8 | 1 | 6 | 7.0 | Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2Oc2cccc(C(=O)N3CCC(N4CCCCC4)CC3)c2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| 45483240 | 198742 | 0 | None | -7 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 643 | 12 | 1 | 8 | 4.2 | COc1ccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)cc1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL583084 | 198742 | 0 | None | -7 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 643 | 12 | 1 | 8 | 4.2 | COc1ccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)cc1 | 10.1016/j.bmcl.2009.09.050 | ||
| 135414288 | 79052 | 0 | None | -79 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 524 | 6 | 2 | 5 | 4.3 | CC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113213 | 79052 | 0 | None | -79 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 524 | 6 | 2 | 5 | 4.3 | CC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 45483255 | 198274 | 0 | None | -8 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 593 | 9 | 1 | 6 | 4.9 | O=S(=O)(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575986 | 198274 | 0 | None | -8 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 593 | 9 | 1 | 6 | 4.9 | O=S(=O)(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 392622 | 56282 | 95 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | nan | ||
| CHEMBL163 | 56282 | 95 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | nan | ||
| 118734427 | 118621 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 5 | 1 | 5 | 4.4 | Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1S(=O)(=O)c1ccccc1 | 10.1021/jm501745f | ||
| CHEMBL3416866 | 118621 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 5 | 1 | 5 | 4.4 | Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1S(=O)(=O)c1ccccc1 | 10.1021/jm501745f | ||
| 24997177 | 118625 | 0 | None | 204 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12 | 10.1021/jm501745f | ||
| CHEMBL3416870 | 118625 | 0 | None | 204 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12 | 10.1021/jm501745f | ||
| 59657599 | 118628 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 380 | 1 | 1 | 3 | 4.1 | O=C1OC2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c2ccccc21 | 10.1021/jm501745f | ||
| CHEMBL3416873 | 118628 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 380 | 1 | 1 | 3 | 4.1 | O=C1OC2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c2ccccc21 | 10.1021/jm501745f | ||
| 162646888 | 179535 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 3 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4741743 | 179535 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 3 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162648022 | 179950 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 479 | 3 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4746818 | 179950 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 479 | 3 | 0 | 3 | 5.0 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162651435 | 180181 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 383 | 1 | 0 | 2 | 4.7 | Cc1ccccc1N1CCN(C(=O)N2CCCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4749660 | 180181 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 383 | 1 | 0 | 2 | 4.7 | Cc1ccccc1N1CCN(C(=O)N2CCCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162657486 | 181043 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 480 | 2 | 0 | 3 | 5.3 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4759748 | 181043 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 480 | 2 | 0 | 3 | 5.3 | Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162661774 | 181381 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 439 | 3 | 0 | 3 | 4.1 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C(C)C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4763639 | 181381 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 439 | 3 | 0 | 3 | 4.1 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C(C)C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 44428494 | 93260 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 779 | 12 | 1 | 6 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL245072 | 93260 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 779 | 12 | 1 | 6 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 162664826 | 182074 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 448 | 2 | 0 | 4 | 3.1 | Cc1ccccc1N1CCN(C(=O)N2CN(S(C)(=O)=O)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4781783 | 182074 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 448 | 2 | 0 | 4 | 3.1 | Cc1ccccc1N1CCN(C(=O)N2CN(S(C)(=O)=O)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 46890052 | 6823 | 0 | None | 11 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 413 | 3 | 0 | 2 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084111 | 6823 | 0 | None | 11 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 413 | 3 | 0 | 2 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 59657596 | 118640 | 31 | None | 16 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL3416885 | 118640 | 31 | None | 16 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/acs.jmedchem.1c00863 | ||
| 59657596 | 118640 | 31 | None | 16 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL3416885 | 118640 | 31 | None | 16 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | ||
| 44428509 | 142865 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 780 | 12 | 2 | 6 | 6.2 | NC1CC[N+](Cc2ccccc2)(C(=O)C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL389360 | 142865 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 780 | 12 | 2 | 6 | 6.2 | NC1CC[N+](Cc2ccccc2)(C(=O)C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| 44361522 | 121669 | 0 | None | 4 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 4 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1021/jm00023a002 | ||
| CHEMBL358793 | 121669 | 0 | None | 4 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 4 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1021/jm00023a002 | ||
| 44274761 | 159608 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| 91931054 | 159608 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL410353 | 159608 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| 54580269 | 61857 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 500 | 9 | 2 | 4 | 4.5 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774000 | 61857 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 500 | 9 | 2 | 4 | 4.5 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 44314343 | 103026 | 0 | None | 134 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 650 | 13 | 1 | 7 | 6.0 | CCc1nccn1-c1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL307269 | 103026 | 0 | None | 134 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 650 | 13 | 1 | 7 | 6.0 | CCc1nccn1-c1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| 46890099 | 7269 | 0 | None | 331 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 414 | 3 | 0 | 3 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cnc2ccccc2c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086068 | 7269 | 0 | None | 331 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 414 | 3 | 0 | 3 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cnc2ccccc2c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 11700583 | 91786 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.4 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL241305 | 91786 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 771 | 12 | 1 | 6 | 6.4 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 53349471 | 118577 | 0 | None | 22 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416774 | 118577 | 0 | None | 22 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 54584477 | 62345 | 0 | None | -19 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 631 | 8 | 1 | 11 | 1.7 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3nccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779403 | 62345 | 0 | None | -19 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 631 | 8 | 1 | 11 | 1.7 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3nccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 46890217 | 6822 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 458 | 3 | 1 | 2 | 6.7 | CC(=O)Nc1cccc(-c2cc(Cl)c(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084086 | 6822 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 458 | 3 | 1 | 2 | 6.7 | CC(=O)Nc1cccc(-c2cc(Cl)c(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 46890657 | 7154 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 479 | 4 | 0 | 3 | 7.8 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c(-c2ccccc2)oc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085548 | 7154 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 479 | 4 | 0 | 3 | 7.8 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c(-c2ccccc2)oc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 47177176 | 164806 | 1 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 329 | 1 | 0 | 1 | 4.4 | O=C(c1ccc(Br)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4218739 | 164806 | 1 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 329 | 1 | 0 | 1 | 4.4 | O=C(c1ccc(Br)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 54581243 | 61820 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 640 | 13 | 1 | 6 | 4.8 | COc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773858 | 61820 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 640 | 13 | 1 | 6 | 4.8 | COc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 46890102 | 6582 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 389 | 4 | 0 | 2 | 5.9 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1/C=C/c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083254 | 6582 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 389 | 4 | 0 | 2 | 5.9 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1/C=C/c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 135446051 | 79043 | 0 | None | -13 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 474 | 6 | 2 | 6 | 3.1 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113204 | 79043 | 0 | None | -13 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 474 | 6 | 2 | 6 | 3.1 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 135414531 | 79047 | 0 | None | -169 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 13 | 2 | 8 | 3.1 | COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113208 | 79047 | 0 | None | -169 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 13 | 2 | 8 | 3.1 | COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 46890154 | 6819 | 0 | None | 3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 423 | 2 | 0 | 2 | 7.3 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3csc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084070 | 6819 | 0 | None | 3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 423 | 2 | 0 | 2 | 7.3 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3csc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 162673440 | 183130 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 352 | 2 | 1 | 5 | 3.6 | Clc1ccc2c(c1)nc1[nH]nc(C3CCN(c4ccccn4)CC3)n12 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4795303 | 183130 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 352 | 2 | 1 | 5 | 3.6 | Clc1ccc2c(c1)nc1[nH]nc(C3CCN(c4ccccn4)CC3)n12 | 10.1016/j.bmcl.2020.127417 | ||
| 114904 | 2933 | 56 | None | -301 | 7 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00023a002 | ||
| 2196 | 2933 | 56 | None | -301 | 7 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00023a002 | ||
| CHEMBL296908 | 2933 | 56 | None | -301 | 7 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00023a002 | ||
| 114904 | 2933 | 56 | None | -301 | 7 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm901812z | ||
| 2196 | 2933 | 56 | None | -301 | 7 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm901812z | ||
| CHEMBL296908 | 2933 | 56 | None | -301 | 7 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm901812z | ||
| 44243143 | 16992 | 0 | None | -9 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 5 | 0 | 6 | 4.3 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cn1 | 10.1021/jm901812z | ||
| CHEMBL1254297 | 16992 | 0 | None | -9 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 5 | 0 | 6 | 4.3 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cn1 | 10.1021/jm901812z | ||
| 57519947 | 73621 | 0 | None | -91 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C\I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017868 | 73621 | 0 | None | -91 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C\I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 167519 | 189176 | 16 | None | - | 1 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 220 | 1 | 1 | 1 | 3.4 | C=C1[C@H]2CC[C@H](CO)[C@@]23CC[C@H](C3)C1(C)C | 10.1021/np50112a001 | ||
| CHEMBL511334 | 189176 | 16 | None | - | 1 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 220 | 1 | 1 | 1 | 3.4 | C=C1[C@H]2CC[C@H](CO)[C@@]23CC[C@H](C3)C1(C)C | 10.1021/np50112a001 | ||
| 44419039 | 137371 | 0 | None | -416 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1096 | 20 | 14 | 15 | -4.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| CHEMBL375324 | 137371 | 0 | None | -416 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1096 | 20 | 14 | 15 | -4.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| 54587189 | 61879 | 0 | None | -33 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 7 | 2 | 3 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c3ccc(Cl)cc3)CC1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774022 | 61879 | 0 | None | -33 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 7 | 2 | 3 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c3ccc(Cl)cc3)CC1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 44579399 | 187138 | 0 | None | -19 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 8 | 0 | 7 | 3.6 | CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1 | 10.1021/jm901812z | ||
| CHEMBL492029 | 187138 | 0 | None | -19 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 8 | 0 | 7 | 3.6 | CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1 | 10.1021/jm901812z | ||
| 162645988 | 179668 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 380 | 2 | 0 | 5 | 5.2 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3[C@H]3C[C@@H]43)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4743652 | 179668 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 380 | 2 | 0 | 5 | 5.2 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3[C@H]3C[C@@H]43)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| 54584476 | 62342 | 0 | None | -42 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 630 | 8 | 1 | 10 | 2.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779400 | 62342 | 0 | None | -42 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 630 | 8 | 1 | 10 | 2.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 44520864 | 172613 | 0 | None | -5 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 603 | 5 | 1 | 6 | 6.8 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nc5ccccc5s4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL449517 | 172613 | 0 | None | -5 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 603 | 5 | 1 | 6 | 6.8 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nc5ccccc5s4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 10873853 | 106969 | 0 | None | 147 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 438 | 7 | 1 | 5 | 5.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCC1CCNCC1 | 10.1021/jm010544r | ||
| CHEMBL315251 | 106969 | 0 | None | 147 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 438 | 7 | 1 | 5 | 5.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCC1CCNCC1 | 10.1021/jm010544r | ||
| 118734336 | 118574 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 418 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S@@+]([O-])c3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416770 | 118574 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 418 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S@@+]([O-])c3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 45483203 | 197868 | 0 | None | -9 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 621 | 11 | 1 | 8 | 3.4 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCOCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572754 | 197868 | 0 | None | -9 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 621 | 11 | 1 | 8 | 3.4 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCOCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 54580303 | 63065 | 0 | None | -371 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 1558 | 24 | 17 | 23 | 0.3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765670 | 63065 | 0 | None | -371 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 1558 | 24 | 17 | 23 | 0.3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1789152 | 63065 | 0 | None | -371 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 1558 | 24 | 17 | 23 | 0.3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 5306925 | 164055 | 13 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 1 | 0 | 1 | 4.3 | O=C(c1ccc(Cl)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4209421 | 164055 | 13 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 1 | 0 | 1 | 4.3 | O=C(c1ccc(Cl)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 45483183 | 198273 | 0 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 607 | 10 | 1 | 6 | 5.3 | O=S(=O)(CCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575972 | 198273 | 0 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 607 | 10 | 1 | 6 | 5.3 | O=S(=O)(CCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 54582290 | 61850 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 578 | 12 | 1 | 6 | 3.6 | CCN(CCCN1CCN(C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773996 | 61850 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 578 | 12 | 1 | 6 | 3.6 | CCN(CCCN1CCN(C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 54585219 | 61866 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 473 | 7 | 2 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774009 | 61866 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 473 | 7 | 2 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 162656367 | 180866 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 370 | 1 | 1 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCNc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4757593 | 180866 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 370 | 1 | 1 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCNc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 73350823 | 102503 | 0 | None | -371 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL2424668 | 102503 | 0 | None | -371 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL3040578 | 102503 | 0 | None | -371 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| 56664848 | 63190 | 0 | None | -199 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1322 | 19 | 14 | 20 | 0.5 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790718 | 63190 | 0 | None | -199 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1322 | 19 | 14 | 20 | 0.5 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| 44520860 | 179596 | 0 | None | -4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cnccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL474274 | 179596 | 0 | None | -4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cnccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 10208363 | 72353 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 523 | 9 | 1 | 6 | 2.7 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2C(N)=O)c2ccc(OC)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL198622 | 72353 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 523 | 9 | 1 | 6 | 2.7 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2C(N)=O)c2ccc(OC)cc2)cc1 | 10.1021/jm050645f | ||
| 162648178 | 179851 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 2 | 0 | 5 | 5.2 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3[C@@H]3C[C@H]43)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4745630 | 179851 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 2 | 0 | 5 | 5.2 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3[C@@H]3C[C@H]43)CC2)no1 | 10.1016/j.bmcl.2020.127417 | ||
| 145964296 | 164102 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.1 | O=C(c1ccc(-c2ncccn2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4209952 | 164102 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.1 | O=C(c1ccc(-c2ncccn2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 56663268 | 64010 | 0 | None | -95 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 447 | 7 | 3 | 3 | 3.5 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCNCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807256 | 64010 | 0 | None | -95 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 447 | 7 | 3 | 3 | 3.5 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCNCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 46890655 | 7102 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 455 | 5 | 0 | 3 | 7.2 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Oc2ccccc2)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085300 | 7102 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 455 | 5 | 0 | 3 | 7.2 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Oc2ccccc2)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 135508167 | 79029 | 0 | None | -81 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 596 | 10 | 3 | 8 | 2.8 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113177 | 79029 | 0 | None | -81 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 596 | 10 | 3 | 8 | 2.8 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 118734428 | 118631 | 0 | None | -245 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 414 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)c1ccccc1CS2(=O)=O | 10.1021/jm501745f | ||
| CHEMBL3416876 | 118631 | 0 | None | -245 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 414 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)c1ccccc1CS2(=O)=O | 10.1021/jm501745f | ||
| 59657691 | 118630 | 0 | None | -218 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 365 | 1 | 2 | 2 | 4.4 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)CNc1ccccc12 | 10.1021/jm501745f | ||
| CHEMBL3416875 | 118630 | 0 | None | -218 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 365 | 1 | 2 | 2 | 4.4 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)CNc1ccccc12 | 10.1021/jm501745f | ||
| 44520869 | 186910 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 527 | 6 | 1 | 5 | 4.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCN(C)C)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL490049 | 186910 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 527 | 6 | 1 | 5 | 4.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCN(C)C)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 135520202 | 133564 | 0 | None | -33 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 528 | 8 | 2 | 7 | 5.1 | COc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(Cl)cc2)cc1OC | 10.1021/jm050645f | ||
| CHEMBL371223 | 133564 | 0 | None | -33 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 528 | 8 | 2 | 7 | 5.1 | COc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(Cl)cc2)cc1OC | 10.1021/jm050645f | ||
| 44428495 | 142084 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 785 | 13 | 1 | 6 | 6.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL388259 | 142084 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 785 | 13 | 1 | 6 | 6.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 162647212 | 179677 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 391 | 1 | 1 | 4 | 3.6 | O=C(N1CCN(c2ncccc2Cl)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4743785 | 179677 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 391 | 1 | 1 | 4 | 3.6 | O=C(N1CCN(c2ncccc2Cl)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | ||
| 162653495 | 180470 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 465 | 3 | 0 | 3 | 4.6 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4753130 | 180470 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 465 | 3 | 0 | 3 | 4.6 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162663957 | 182129 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 412 | 1 | 0 | 3 | 3.7 | CC(=O)N1Cc2cc(Cl)ccc2N(C(=O)N2CCN(c3ccccc3C)CC2)C1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4782389 | 182129 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 412 | 1 | 0 | 3 | 3.7 | CC(=O)N1Cc2cc(Cl)ccc2N(C(=O)N2CCN(c3ccccc3C)CC2)C1 | 10.1016/j.bmcl.2020.127416 | ||
| 132822145 | 159518 | 0 | None | 26 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4102459 | 159518 | 0 | None | 26 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL5078950 | 214572 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | Cc1cccc2c1-n1c(nnc1[C@H]1CC[C@H](Oc3ccccn3)CC1)C[C@@H](O)C2 | 10.1021/acs.jmedchem.1c00863 | ||||
| 44428557 | 150907 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 717 | 12 | 1 | 6 | 5.1 | CCCCN1CCN(C(=O)C(C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL395778 | 150907 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 717 | 12 | 1 | 6 | 5.1 | CCCCN1CCN(C(=O)C(C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 | 10.1016/j.bmc.2006.12.031 | ||
| 132822146 | 157216 | 0 | None | 23 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4076436 | 157216 | 0 | None | 23 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 44419025 | 84267 | 0 | None | -239 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL221436 | 84267 | 0 | None | -239 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 52947410 | 16982 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 390 | 4 | 0 | 6 | 3.9 | CO/N=C1/C[C@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 | 10.1021/jm901812z | ||
| CHEMBL1254210 | 16982 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 390 | 4 | 0 | 6 | 3.9 | CO/N=C1/C[C@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 | 10.1021/jm901812z | ||
| 135644174 | 71778 | 7 | None | 8 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 3.8 | C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1O | 10.1021/jm050645f | ||
| CHEMBL196816 | 71778 | 7 | None | 8 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 3.8 | C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1O | 10.1021/jm050645f | ||
| 2198 | 3394 | 2 | None | -46 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 9807249 | 3394 | 2 | None | -46 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL1192593 | 3394 | 2 | None | -46 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 172997 | 2318 | 57 | None | -64 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| 2238 | 2318 | 57 | None | -64 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL49429 | 2318 | 57 | None | -64 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| DB06666 | 2318 | 57 | None | -64 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| 44428491 | 152062 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 703 | 11 | 2 | 6 | 4.9 | NCCC1CCCCN1C(=O)C(C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL396758 | 152062 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 703 | 11 | 2 | 6 | 4.9 | NCCC1CCCCN1C(=O)C(C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44428501 | 142323 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 779 | 13 | 1 | 6 | 6.0 | O=C(C[C@@H](C(=O)N1CCN(CCc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)NCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL388701 | 142323 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 779 | 13 | 1 | 6 | 6.0 | O=C(C[C@@H](C(=O)N1CCN(CCc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)NCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2006.12.031 | ||
| 135438362 | 79046 | 1 | None | -70 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 468 | 6 | 2 | 5 | 3.0 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113207 | 79046 | 1 | None | -70 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 468 | 6 | 2 | 5 | 3.0 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 135530014 | 79030 | 0 | None | -151 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 526 | 9 | 3 | 6 | 2.9 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113179 | 79030 | 0 | None | -151 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 526 | 9 | 3 | 6 | 2.9 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 45483300 | 198487 | 0 | None | -53 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 559 | 7 | 1 | 6 | 5.3 | O=C(OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL577816 | 198487 | 0 | None | -53 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 559 | 7 | 1 | 6 | 5.3 | O=C(OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 135530164 | 79039 | 0 | None | -5 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 570 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113200 | 79039 | 0 | None | -5 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 570 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 137212772 | 137915 | 0 | None | 12 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763951 | 137915 | 0 | None | 12 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| 137212772 | 137915 | 0 | None | 12 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL3763951 | 137915 | 0 | None | 12 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| 162668040 | 182494 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 3.3 | C[C@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4787124 | 182494 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 3.3 | C[C@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1 | 10.1016/j.bmcl.2020.127416 | ||
| 2181 | 1319 | 42 | None | -28 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 2182 | 1319 | 42 | None | -28 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 27991 | 1319 | 42 | None | -28 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| CHEMBL1429 | 1319 | 42 | None | -28 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| CHEMBL264448 | 1319 | 42 | None | -28 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| DB00035 | 1319 | 42 | None | -28 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 46890262 | 6654 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 562 | 3 | 0 | 2 | 9.6 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cc(Cl)c(-c4cccc5cccnc45)cc3Cl)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083480 | 6654 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 562 | 3 | 0 | 2 | 9.6 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cc(Cl)c(-c4cccc5cccnc45)cc3Cl)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 10187283 | 206190 | 0 | None | -20 | 4 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 543 | 7 | 0 | 6 | 5.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCc1ccc(C(=O)N2CCN(C)CC2)cc1 | 10.1021/jm010544r | ||
| CHEMBL86577 | 206190 | 0 | None | -20 | 4 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 543 | 7 | 0 | 6 | 5.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCc1ccc(C(=O)N2CCN(C)CC2)cc1 | 10.1021/jm010544r | ||
| 10483105 | 90651 | 1 | None | -117 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| CHEMBL2391300 | 90651 | 1 | None | -117 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 53349364 | 166665 | 0 | None | 8 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 4.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(C)c3cccc(C)c32)cc1 | 10.1039/C8MD00033F | ||
| CHEMBL4282161 | 166665 | 0 | None | 8 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 4.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(C)c3cccc(C)c32)cc1 | 10.1039/C8MD00033F | ||
| 44335343 | 107443 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 519 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL318392 | 107443 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 519 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| 44361521 | 35040 | 0 | None | -29 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 450 | 7 | 2 | 4 | 2.9 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)NCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL143341 | 35040 | 0 | None | -29 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 450 | 7 | 2 | 4 | 2.9 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)NCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 71457081 | 82346 | 0 | None | -218 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1309 | 24 | 5 | 14 | 10.2 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71482251 | 82346 | 0 | None | -218 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1309 | 24 | 5 | 14 | 10.2 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL2172289 | 82346 | 0 | None | -218 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1309 | 24 | 5 | 14 | 10.2 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 145956239 | 162600 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 566 | 8 | 1 | 8 | 5.0 | COc1cc(CN2CCN(c3ccc(CCC(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL4169437 | 162600 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 566 | 8 | 1 | 8 | 5.0 | COc1cc(CN2CCN(c3ccc(CCC(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| 145976648 | 163819 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.6 | CCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4206482 | 163819 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.6 | CCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 25212177 | 174805 | 10 | None | -14 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL456263 | 174805 | 10 | None | -14 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| 56676959 | 64023 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 485 | 8 | 2 | 3 | 4.2 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807269 | 64023 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 485 | 8 | 2 | 3 | 4.2 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL2369848 | 209687 | 0 | None | -13 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 11465834 | 138397 | 0 | None | -1479 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm201287w | ||
| CHEMBL377414 | 138397 | 0 | None | -1479 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm201287w | ||
| 42629368 | 182641 | 0 | None | -251 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 457 | 3 | 1 | 4 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL478902 | 182641 | 0 | None | -251 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 457 | 3 | 1 | 4 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 2239 | 1072 | 1 | None | -5011 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| 6918854 | 1072 | 1 | None | -5011 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| CHEMBL196478 | 1072 | 1 | None | -5011 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| 46233065 | 201036 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 548 | 4 | 2 | 5 | 4.1 | Cc1cc(C(=O)N2CCCNc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| CHEMBL602671 | 201036 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 548 | 4 | 2 | 5 | 4.1 | Cc1cc(C(=O)N2CCCNc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| 137212776 | 137908 | 0 | None | 128 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 10 | 3 | 8 | 4.6 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763823 | 137908 | 0 | None | 128 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 10 | 3 | 8 | 4.6 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2015.11.050 | ||
| 137212776 | 137908 | 0 | None | 128 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 10 | 3 | 8 | 4.6 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL3763823 | 137908 | 0 | None | 128 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 10 | 3 | 8 | 4.6 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| 9807250 | 78318 | 0 | None | -58 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL2093899 | 78318 | 0 | None | -58 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL2110044 | 78318 | 0 | None | -58 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325505 | 207420 | 0 | None | -562 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 555 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL94133 | 207420 | 0 | None | -562 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 555 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 145959206 | 162163 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 524 | 5 | 3 | 8 | 4.0 | Cn1ncc2c1Nc1ccccc1N(C(=O)Cc1cccc(N3CCN(Cc4cc(O)cc(O)c4)CC3)c1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL4162565 | 162163 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 524 | 5 | 3 | 8 | 4.0 | Cn1ncc2c1Nc1ccccc1N(C(=O)Cc1cccc(N3CCN(Cc4cc(O)cc(O)c4)CC3)c1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| 46890439 | 6555 | 1 | None | 51 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 347 | 2 | 0 | 1 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083095 | 6555 | 1 | None | 51 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 347 | 2 | 0 | 1 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 135493119 | 79040 | 0 | None | -58 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 569 | 11 | 2 | 7 | 3.3 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113201 | 79040 | 0 | None | -58 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 569 | 11 | 2 | 7 | 3.3 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 135438560 | 135174 | 0 | None | -42 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 487 | 9 | 2 | 6 | 3.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL372122 | 135174 | 0 | None | -42 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 487 | 9 | 2 | 6 | 3.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 56671721 | 63195 | 0 | None | -5 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1321 | 15 | 13 | 19 | 3.0 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790722 | 63195 | 0 | None | -5 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1321 | 15 | 13 | 19 | 3.0 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| 118734339 | 118576 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 432 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S@@+]([O-])c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416773 | 118576 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 432 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S@@+]([O-])c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 118734424 | 118618 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 345 | 3 | 1 | 2 | 4.1 | O=C(c1cccc2ccccc12)N1CCC(O)(Cc2ccccc2)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416862 | 118618 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 345 | 3 | 1 | 2 | 4.1 | O=C(c1cccc2ccccc12)N1CCC(O)(Cc2ccccc2)CC1 | 10.1021/jm501745f | ||
| 15952030 | 118622 | 0 | None | -208 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 332 | 1 | 1 | 2 | 3.8 | O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| CHEMBL3416867 | 118622 | 0 | None | -208 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 332 | 1 | 1 | 2 | 3.8 | O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| 145975166 | 163769 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 328 | 2 | 0 | 2 | 4.7 | O=C(c1ccc(-c2cccnc2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4205970 | 163769 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 328 | 2 | 0 | 2 | 4.7 | O=C(c1ccc(-c2cccnc2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 16109448 | 141575 | 0 | None | -112 | 4 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1054 | 19 | 14 | 15 | -3.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL385068 | 141575 | 0 | None | -112 | 4 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1054 | 19 | 14 | 15 | -3.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 19608069 | 118570 | 0 | None | -3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 402 | 3 | 1 | 3 | 5.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416766 | 118570 | 0 | None | -3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 402 | 3 | 1 | 3 | 5.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 145950135 | 162847 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 552 | 7 | 1 | 8 | 4.6 | COc1cc(CN2CCN(c3ccccc3CC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL4173255 | 162847 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 552 | 7 | 1 | 8 | 4.6 | COc1cc(CN2CCN(c3ccccc3CC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| 135513039 | 79044 | 0 | None | -63 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.5 | Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C#N)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113205 | 79044 | 0 | None | -63 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.5 | Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C#N)cc2)cc1 | 10.1021/jm050645f | ||
| 45483321 | 198223 | 0 | None | -9 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 557 | 8 | 1 | 5 | 5.5 | O=C(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575574 | 198223 | 0 | None | -9 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 557 | 8 | 1 | 5 | 5.5 | O=C(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 145963213 | 161457 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4127791 | 161457 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 54584265 | 61152 | 0 | None | -131 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1026 | 18 | 11 | 14 | -0.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765663 | 61152 | 0 | None | -131 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1026 | 18 | 11 | 14 | -0.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 56683607 | 64028 | 0 | None | -61 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 459 | 8 | 2 | 3 | 3.7 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807274 | 64028 | 0 | None | -61 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 459 | 8 | 2 | 3 | 3.7 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 162672471 | 183017 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 384 | 1 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCN(C)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4794001 | 183017 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 384 | 1 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCN(C)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 54580293 | 61876 | 0 | None | 53 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.7 | Cc1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774019 | 61876 | 0 | None | 53 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.7 | Cc1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1 | 10.1016/j.bmcl.2011.02.096 | ||
| 56670126 | 64018 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 9 | 3 | 3 | 2.8 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NCCCO | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807264 | 64018 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 9 | 3 | 3 | 2.8 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NCCCO | 10.1016/j.bmcl.2011.05.092 | ||
| 56683608 | 64030 | 0 | None | 18 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 446 | 9 | 3 | 3 | 3.5 | O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(F)cc2)CCCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807276 | 64030 | 0 | None | 18 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 446 | 9 | 3 | 3 | 3.5 | O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(F)cc2)CCCC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 46890290 | 6965 | 0 | None | 58 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 544 | 3 | 0 | 2 | 9.4 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)c4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084717 | 6965 | 0 | None | 58 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 544 | 3 | 0 | 2 | 9.4 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)c4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 44313913 | 204817 | 0 | None | 58 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 670 | 10 | 1 | 7 | 6.2 | CCc1nccn1-c1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL75489 | 204817 | 0 | None | 58 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 670 | 10 | 1 | 7 | 6.2 | CCc1nccn1-c1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| 56675150 | 63196 | 0 | None | -85 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1382 | 21 | 14 | 19 | -1.2 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc(C3=C4C=CC(N(C)C)=CC4OC4=CC(=[N+](C)C)C=CC43)c(C(=O)O)c2)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790723 | 63196 | 0 | None | -85 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1382 | 21 | 14 | 19 | -1.2 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc(C3=C4C=CC(N(C)C)=CC4OC4=CC(=[N+](C)C)C=CC43)c(C(=O)O)c2)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| 11144861 | 106967 | 0 | None | 954 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 452 | 8 | 1 | 5 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCC1CCNCC1 | 10.1021/jm010544r | ||
| CHEMBL315232 | 106967 | 0 | None | 954 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 452 | 8 | 1 | 5 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCC1CCNCC1 | 10.1021/jm010544r | ||
| 44428510 | 158900 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 785 | 13 | 1 | 6 | 6.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL409561 | 158900 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 785 | 13 | 1 | 6 | 6.7 | O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 1134627 | 72940 | 10 | None | 11 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 4 | 4.5 | COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL200682 | 72940 | 10 | None | 11 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 4 | 4.5 | COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| 53349364 | 166665 | 0 | None | 8 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 4.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(C)c3cccc(C)c32)cc1 | 10.1039/C8MD00033F | ||
| CHEMBL4282161 | 166665 | 0 | None | 8 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 4.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(C)c3cccc(C)c32)cc1 | 10.1039/C8MD00033F | ||
| 162645370 | 179570 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 385 | 1 | 1 | 4 | 3.6 | Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)[C@H](C)C1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4742173 | 179570 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 385 | 1 | 1 | 4 | 3.6 | Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)[C@H](C)C1 | 10.1016/j.bmcl.2020.127416 | ||
| 162661801 | 181431 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 336 | 1 | 1 | 3 | 3.2 | Cc1ccccc1N1CCN(C(=O)N2CCNc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4764410 | 181431 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 336 | 1 | 1 | 3 | 3.2 | Cc1ccccc1N1CCN(C(=O)N2CCNc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162643251 | 181685 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 394 | 3 | 0 | 7 | 3.7 | COc1nc2cc(Cl)ccc2n2c(C3CCN(c4ccccn4)CC3)nnc12 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4776887 | 181685 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 394 | 3 | 0 | 7 | 3.7 | COc1nc2cc(Cl)ccc2n2c(C3CCN(c4ccccn4)CC3)nnc12 | 10.1016/j.bmcl.2020.127417 | ||
| 44325362 | 207321 | 0 | None | -354 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 555 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL93603 | 207321 | 0 | None | -354 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 555 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 441243 | 9804 | 58 | None | -33 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | nan | ||
| CHEMBL114 | 9804 | 58 | None | -33 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | nan | ||
| 132559160 | 175497 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 514 | 7 | 2 | 6 | 2.0 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccoc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccoc2)N(C)C1=O | 10.1039/C9MD00050J | ||
| CHEMBL4578103 | 175497 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 514 | 7 | 2 | 6 | 2.0 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccoc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccoc2)N(C)C1=O | 10.1039/C9MD00050J | ||
| 45483202 | 198318 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 577 | 10 | 1 | 7 | 3.5 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC3CCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL576341 | 198318 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 577 | 10 | 1 | 7 | 3.5 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC3CCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 162660975 | 181833 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 365 | 2 | 0 | 5 | 3.8 | Clc1ccc2c(c1)CCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4778700 | 181833 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 365 | 2 | 0 | 5 | 3.8 | Clc1ccc2c(c1)CCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 44520866 | 181616 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 536 | 5 | 1 | 5 | 5.8 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccco4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL477456 | 181616 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 536 | 5 | 1 | 5 | 5.8 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccco4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520865 | 189101 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 586 | 5 | 2 | 5 | 6.1 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nc5ccccc5[nH]4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL510500 | 189101 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 586 | 5 | 2 | 5 | 6.1 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nc5ccccc5[nH]4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 45483236 | 198739 | 0 | None | -31 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 619 | 11 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3cccs3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL583081 | 198739 | 0 | None | -31 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 619 | 11 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3cccs3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 135399831 | 79033 | 0 | None | -457 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 597 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113189 | 79033 | 0 | None | -457 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 597 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 10587836 | 119399 | 7 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 1 | 1 | 2 | 3.3 | Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL344848 | 119399 | 7 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 1 | 1 | 2 | 3.3 | Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 54581529 | 62350 | 0 | None | -288 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 696 | 10 | 0 | 9 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779408 | 62350 | 0 | None | -288 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 696 | 10 | 0 | 9 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 9938406 | 93288 | 1 | None | -1047 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24526 | 93288 | 1 | None | -1047 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 145971417 | 164655 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 374 | 3 | 0 | 4 | 4.2 | Cc1ccn(-c2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4216926 | 164655 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 374 | 3 | 0 | 4 | 4.2 | Cc1ccn(-c2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL2369840 | 209682 | 0 | None | -9 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 137648906 | 157358 | 0 | None | 22 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4078185 | 157358 | 0 | None | 22 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 57520031 | 73627 | 0 | None | -2 | 4 | Prairie vole | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 3.0 | COc1cc(OC2CCN(S(C)(=O)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017979 | 73627 | 0 | None | -2 | 4 | Prairie vole | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 3.0 | COc1cc(OC2CCN(S(C)(=O)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 53239961 | 66589 | 0 | None | 2 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 491 | 2 | 3 | 5 | 5.1 | Nc1nc(-c2ccc3c(c2)C(=Cc2cc(Br)c(O)c(Br)c2)C(=O)N3)cs1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL1794053 | 66589 | 0 | None | 2 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 491 | 2 | 3 | 5 | 5.1 | Nc1nc(-c2ccc3c(c2)C(=Cc2cc(Br)c(O)c(Br)c2)C(=O)N3)cs1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL1852697 | 66589 | 0 | None | 2 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 491 | 2 | 3 | 5 | 5.1 | Nc1nc(-c2ccc3c(c2)C(=Cc2cc(Br)c(O)c(Br)c2)C(=O)N3)cs1 | 10.1016/s0960-894x(01)00723-5 | ||
| 70685417 | 73620 | 0 | None | -467 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C/I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017867 | 73620 | 0 | None | -467 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C/I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 145949926 | 162846 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 524 | 5 | 3 | 8 | 4.0 | Cn1ncc2c1Nc1ccccc1N(C(=O)Cc1ccc(N3CCN(Cc4cc(O)cc(O)c4)CC3)cc1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL4173250 | 162846 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 524 | 5 | 3 | 8 | 4.0 | Cn1ncc2c1Nc1ccccc1N(C(=O)Cc1ccc(N3CCN(Cc4cc(O)cc(O)c4)CC3)cc1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| 16059348 | 118633 | 1 | None | 301 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 2 | 2 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416878 | 118633 | 1 | None | 301 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 2 | 2 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1021/jm501745f | ||
| 10144208 | 107101 | 0 | None | 1047 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 557 | 7 | 0 | 6 | 6.2 | Cc1cccc(OCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL316093 | 107101 | 0 | None | 1047 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 557 | 7 | 0 | 6 | 6.2 | Cc1cccc(OCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| 11740743 | 14076 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm3006146 | ||
| CHEMBL119793 | 14076 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm3006146 | ||
| 56680283 | 64020 | 0 | None | -44 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 475 | 8 | 2 | 3 | 4.3 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807266 | 64020 | 0 | None | -44 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 475 | 8 | 2 | 3 | 4.3 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 44428570 | 152355 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 731 | 13 | 1 | 6 | 6.2 | C[C@H](NC(=O)[C@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL397026 | 152355 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 731 | 13 | 1 | 6 | 6.2 | C[C@H](NC(=O)[C@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 44314222 | 204737 | 0 | None | 8 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 560 | 11 | 1 | 6 | 5.1 | Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCCCCCC(=O)N2CCN(C)CC2)c1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL74593 | 204737 | 0 | None | 8 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 560 | 11 | 1 | 6 | 5.1 | Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCCCCCC(=O)N2CCN(C)CC2)c1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL5088219 | 215122 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | Cc1cccc2c1CC(O)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c00863 | ||||
| CHEMBL2369847 | 209686 | 0 | None | -8 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 162646888 | 179535 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 3 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| CHEMBL4741743 | 179535 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 3 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | ||
| 162663490 | 181977 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 394 | 2 | 1 | 6 | 4.4 | CC1(C)Nc2cc(Cl)ccc2-n2c(C3CCN(c4ccccn4)CC3)nnc21 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4780533 | 181977 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 394 | 2 | 1 | 6 | 4.4 | CC1(C)Nc2cc(Cl)ccc2-n2c(C3CCN(c4ccccn4)CC3)nnc21 | 10.1016/j.bmcl.2020.127417 | ||
| 9849525 | 111399 | 0 | None | -61 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL327365 | 111399 | 0 | None | -61 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 24958835 | 118615 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 3 | 0 | 3 | 4.9 | CCOc1ccc2ccccc2c1C(=O)N1CCC2(CC1)OCc1ccccc12 | 10.1021/acs.jmedchem.6b01437 | ||
| CHEMBL3416859 | 118615 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 3 | 0 | 3 | 4.9 | CCOc1ccc2ccccc2c1C(=O)N1CCC2(CC1)OCc1ccccc12 | 10.1021/acs.jmedchem.6b01437 | ||
| 24958835 | 118615 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 3 | 0 | 3 | 4.9 | CCOc1ccc2ccccc2c1C(=O)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| CHEMBL3416859 | 118615 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 3 | 0 | 3 | 4.9 | CCOc1ccc2ccccc2c1C(=O)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| 2173 | 2935 | 13 | None | -8 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/acs.jmedchem.8b00697 | ||
| 3038506 | 2935 | 13 | None | -8 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL332447 | 2935 | 13 | None | -8 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/acs.jmedchem.8b00697 | ||
| DB05838 | 2935 | 13 | None | -8 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145974527 | 164736 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 491 | 5 | 3 | 6 | 3.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4217872 | 164736 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 491 | 5 | 3 | 6 | 3.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 26434734 | 163493 | 8 | None | 5 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 294 | 2 | 0 | 2 | 3.7 | CN(C)c1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4202525 | 163493 | 8 | None | 5 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 294 | 2 | 0 | 2 | 3.7 | CN(C)c1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 10414302 | 112493 | 0 | None | -50 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL329903 | 112493 | 0 | None | -50 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 46890184 | 6503 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 453 | 3 | 0 | 3 | 7.3 | COc1cc(-c2csc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1082835 | 6503 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 453 | 3 | 0 | 3 | 7.3 | COc1cc(-c2csc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| 118734338 | 118575 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 432 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S+]([O-])c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416772 | 118575 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 432 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S+]([O-])c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 57519948 | 73622 | 4 | None | -933 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL2017869 | 73622 | 4 | None | -933 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| 57519948 | 73622 | 4 | None | -933 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017869 | 73622 | 4 | None | -933 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 45483323 | 197888 | 0 | None | -11 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 579 | 8 | 1 | 6 | 4.5 | O=S(=O)(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572921 | 197888 | 0 | None | -11 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 579 | 8 | 1 | 6 | 4.5 | O=S(=O)(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 145971236 | 163058 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 538 | 6 | 3 | 8 | 4.4 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCc1cccc(N3CCN(Cc4cc(O)cc(O)c4)CC3)c1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL4176616 | 163058 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 538 | 6 | 3 | 8 | 4.4 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCc1cccc(N3CCN(Cc4cc(O)cc(O)c4)CC3)c1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| 54585227 | 61157 | 0 | None | -512 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1042 | 18 | 12 | 15 | -1.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765669 | 61157 | 0 | None | -512 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1042 | 18 | 12 | 15 | -1.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 11366713 | 137197 | 0 | None | -194 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1054 | 19 | 13 | 15 | -3.9 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL375096 | 137197 | 0 | None | -194 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1054 | 19 | 13 | 15 | -3.9 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 45483235 | 198076 | 0 | None | -30 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 572 | 7 | 1 | 5 | 5.2 | CN(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL574450 | 198076 | 0 | None | -30 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 572 | 7 | 1 | 5 | 5.2 | CN(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 54581298 | 61864 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 7 | 2 | 3 | 3.4 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1774007 | 61864 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 7 | 2 | 3 | 3.4 | CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C2 | 10.1016/j.bmcl.2011.02.096 | ||
| 56663271 | 64016 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 461 | 10 | 2 | 3 | 3.8 | CN(C)CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807262 | 64016 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 461 | 10 | 2 | 3 | 3.8 | CN(C)CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 44335356 | 5193 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 385 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCNc3ccccc32)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL106229 | 5193 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 385 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCNc3ccccc32)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 44428533 | 166447 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 731 | 14 | 2 | 6 | 5.6 | O=C(CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)NCCN1CCCCC1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL427816 | 166447 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 731 | 14 | 2 | 6 | 5.6 | O=C(CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)NCCN1CCCCC1 | 10.1016/j.bmc.2006.12.031 | ||
| 25001929 | 118626 | 0 | None | 331 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccncc12 | 10.1021/jm501745f | ||
| CHEMBL3416871 | 118626 | 0 | None | 331 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccncc12 | 10.1021/jm501745f | ||
| 162664620 | 182123 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 380 | 3 | 0 | 5 | 4.5 | Clc1ccc2c(c1)CCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4782340 | 182123 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 380 | 3 | 0 | 5 | 4.5 | Clc1ccc2c(c1)CCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 10863737 | 206607 | 0 | None | 1202 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 477 | 11 | 0 | 6 | 6.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCn1ccnc1 | 10.1021/jm010544r | ||
| CHEMBL89177 | 206607 | 0 | None | 1202 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 477 | 11 | 0 | 6 | 6.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCn1ccnc1 | 10.1021/jm010544r | ||
| 10907482 | 206252 | 0 | None | 724 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 523 | 10 | 0 | 6 | 5.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCC(=O)N1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL86936 | 206252 | 0 | None | 724 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 523 | 10 | 0 | 6 | 5.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCC(=O)N1CCN(C)CC1 | 10.1021/jm010544r | ||
| 56663273 | 64036 | 0 | None | 28 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCCC1O | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807281 | 64036 | 0 | None | 28 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 448 | 7 | 3 | 3 | 3.7 | O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCCC1O | 10.1016/j.bmcl.2011.05.092 | ||
| 57519948 | 73622 | 4 | None | 1 | 4 | Prairie vole | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017869 | 73622 | 4 | None | 1 | 4 | Prairie vole | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 10303620 | 206253 | 0 | None | -9 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 577 | 12 | 0 | 6 | 7.8 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCC(N2CCCCC2)CC1 | 10.1021/jm010544r | ||
| CHEMBL86949 | 206253 | 0 | None | -9 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 577 | 12 | 0 | 6 | 7.8 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCC(N2CCCCC2)CC1 | 10.1021/jm010544r | ||
| 44428535 | 161232 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 799 | 14 | 1 | 6 | 7.1 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| CHEMBL411960 | 161232 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 799 | 14 | 1 | 6 | 7.1 | O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 | 10.1016/j.bmc.2006.12.031 | ||
| 11366713 | 137197 | 0 | None | -1995 | 8 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1054 | 19 | 13 | 15 | -3.9 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL375096 | 137197 | 0 | None | -1995 | 8 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1054 | 19 | 13 | 15 | -3.9 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 19607875 | 118573 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 418 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S+]([O-])c3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416769 | 118573 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 418 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S+]([O-])c3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 16109437 | 84275 | 0 | None | -4786 | 5 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 1065 | 18 | 11 | 14 | -0.6 | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL221485 | 84275 | 0 | None | -4786 | 5 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 1065 | 18 | 11 | 14 | -0.6 | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 46890151 | 7012 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 445 | 4 | 0 | 3 | 7.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(-c2ccccc2)s1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084864 | 7012 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 445 | 4 | 0 | 3 | 7.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(-c2ccccc2)s1 | 10.1016/j.bmcl.2010.04.068 | ||
| 54587156 | 61847 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 532 | 11 | 1 | 4 | 4.3 | CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773993 | 61847 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 532 | 11 | 1 | 4 | 4.3 | CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2011.02.096 | ||
| 135491819 | 79031 | 0 | None | -104 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 597 | 12 | 4 | 7 | 2.4 | O=C(CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1)NCCCO | 10.1021/jm050645f | ||
| CHEMBL2113181 | 79031 | 0 | None | -104 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 597 | 12 | 4 | 7 | 2.4 | O=C(CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1)NCCCO | 10.1021/jm050645f | ||
| 2202 | 2741 | 33 | None | -58 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2011.03.012 | ||
| 9895468 | 2741 | 33 | None | -58 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL582857 | 2741 | 33 | None | -58 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2011.03.012 | ||
| DB12643 | 2741 | 33 | None | -58 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2011.03.012 | ||
| 46890260 | 6904 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 8.8 | CC(=O)Nc1cccc(-c2ccc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)c(Cl)c3)c3ccccc23)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084456 | 6904 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 8.8 | CC(=O)Nc1cccc(-c2ccc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)c(Cl)c3)c3ccccc23)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 46890186 | 7221 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 451 | 2 | 0 | 1 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cccc4ccccc34)c(Cl)c2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085850 | 7221 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 451 | 2 | 0 | 1 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cccc4ccccc34)c(Cl)c2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 45483324 | 198247 | 0 | None | -35 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 593 | 12 | 1 | 7 | 4.0 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCC(C)C)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575796 | 198247 | 0 | None | -35 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 593 | 12 | 1 | 7 | 4.0 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCC(C)C)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 46890214 | 7064 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 417 | 2 | 0 | 1 | 7.2 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cccc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085123 | 7064 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 417 | 2 | 0 | 1 | 7.2 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cccc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 54581265 | 61849 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 550 | 11 | 2 | 6 | 2.9 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCCCN2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773995 | 61849 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 550 | 11 | 2 | 6 | 2.9 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCCCN2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL5070501 | 214215 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | Cc1cccc2c1-n1c(nnc1C1CCN(c3ccccc3)CC1)C[C@H](O)C2 | 10.1021/acs.jmedchem.1c00863 | ||||
| 56666700 | 64019 | 0 | None | -5 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 434 | 9 | 3 | 3 | 3.3 | O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807265 | 64019 | 0 | None | -5 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 434 | 9 | 3 | 3 | 3.3 | O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 9797987 | 118483 | 3 | None | -9 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 339 | 2 | 0 | 2 | 3.7 | Cc1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm901812z | ||
| CHEMBL341490 | 118483 | 3 | None | -9 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 339 | 2 | 0 | 2 | 3.7 | Cc1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm901812z | ||
| 10461270 | 3652 | 7 | None | -131 | 5 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 10.1021/jm901812z | ||
| 2201 | 3652 | 7 | None | -131 | 5 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 10.1021/jm901812z | ||
| CHEMBL1615640 | 3652 | 7 | None | -131 | 5 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 10.1021/jm901812z | ||
| CHEMBL5070501 | 214215 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | Cc1cccc2c1-n1c(nnc1C1CCN(c3ccccc3)CC1)C[C@H](O)C2 | 10.1021/acs.jmedchem.1c00863 | ||||
| 119369 | 2588 | 74 | None | -31 | 8 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2588 | 74 | None | -31 | 8 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2588 | 74 | None | -31 | 8 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2588 | 74 | None | -31 | 8 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 146681949 | 216051 | 0 | None | -1 | 9 | Rat | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 2171 | 1604 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 10866830 | ||||
| 2171 | 1604 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 11934825 | ||||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 8.5 | pKd | = | 8.5 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 8123034 | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 8.5 | pKd | = | 8.5 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 8123034 | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 8.5 | pKd | = | 8.5 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 8123034 | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 8.5 | pKd | = | 8.5 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 8123034 | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 8.5 | pKd | = | 8.5 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 8123034 | ||
| 10615 | 570 | 32 | None | -501 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| 46200932 | 570 | 32 | None | -501 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| CHEMBL4297183 | 570 | 32 | None | -501 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| DB14823 | 570 | 32 | None | -501 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 151171 | 1155 | 50 | 3H-Oxytocin | 1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 216322 | 1155 | 50 | 3H-Oxytocin | 1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 2203 | 1155 | 50 | 3H-Oxytocin | 1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 732 | 1155 | 50 | 3H-Oxytocin | 1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| CHEMBL1755 | 1155 | 50 | 3H-Oxytocin | 1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| DB00872 | 1155 | 50 | 3H-Oxytocin | 1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| None | 216052 | 0 | 3H-Oxytocin | 50 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 1151 | 20 | 12 | 15 | -2.3 | COC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5 | None | ||
| 151171 | 1155 | 50 | 3H-AVP | 1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 216322 | 1155 | 50 | 3H-AVP | 1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 2203 | 1155 | 50 | 3H-AVP | 1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 732 | 1155 | 50 | 3H-AVP | 1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| CHEMBL1755 | 1155 | 50 | 3H-AVP | 1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| DB00872 | 1155 | 50 | 3H-AVP | 1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 146681949 | 216051 | 0 | 3H-Oxytocin | -1 | 9 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 146681949 | 216051 | 0 | 3H-AVP | -1 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 146681949 | 216051 | 0 | 3H-AVP | -1 | 9 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 146681949 | 216051 | 0 | 3H-AVP | -1 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| None | 216052 | 0 | 3H-AVP | 50 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 1151 | 20 | 12 | 15 | -2.3 | COC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5 | None | ||
| 21830793 | 91806 | 10 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| CHEMBL2413154 | 91806 | 10 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| 1973 | 203460 | 15 | 3H-V1-antagonist | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL1394464 | 203460 | 15 | 3H-V1-antagonist | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL66089 | 203460 | 15 | 3H-V1-antagonist | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| 4054 | 205478 | 72 | 3H-VASOPRESSIN | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL1699 | 205478 | 72 | 3H-VASOPRESSIN | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL807 | 205478 | 72 | 3H-VASOPRESSIN | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| 216237 | 3814 | 89 | 3H-AVP | -23 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 2226 | 3814 | 89 | 3H-AVP | -23 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 4110 | 3814 | 89 | 3H-AVP | -23 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| CHEMBL344159 | 3814 | 89 | 3H-AVP | -23 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 2042 | 2962 | 58 | 3H-AVP | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 2962 | 58 | 3H-AVP | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 2962 | 58 | 3H-AVP | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 2962 | 58 | 3H-AVP | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 2962 | 58 | 3H-AVP | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 2962 | 58 | 3H-AVP | -29 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 114904 | 2933 | 56 | 3H-Oxytocin | 7 | 7 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| 2196 | 2933 | 56 | 3H-Oxytocin | 7 | 7 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| CHEMBL296908 | 2933 | 56 | 3H-Oxytocin | 7 | 7 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| 119369 | 2588 | 74 | 3H-AVP | -6 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2588 | 74 | 3H-AVP | -6 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2588 | 74 | 3H-AVP | -6 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2588 | 74 | 3H-AVP | -6 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 119369 | 2588 | 74 | 3H-AVP | -31 | 8 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2588 | 74 | 3H-AVP | -31 | 8 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2588 | 74 | 3H-AVP | -31 | 8 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2588 | 74 | 3H-AVP | -31 | 8 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 114904 | 2933 | 56 | 3H-AVP | 7 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| 2196 | 2933 | 56 | 3H-AVP | 7 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| CHEMBL296908 | 2933 | 56 | 3H-AVP | 7 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| 119369 | 2588 | 74 | 3H-Oxytocin | -31 | 8 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2588 | 74 | 3H-Oxytocin | -31 | 8 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2588 | 74 | 3H-Oxytocin | -31 | 8 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2588 | 74 | 3H-Oxytocin | -31 | 8 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 46783812 | 216053 | 0 | 3H-AVP | -75 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 1182 | 19 | 14 | 16 | -6.7 | CC(=O)O.C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N.O.O.O | None | ||
| 133612094 | 216459 | 0 | 3H-AVP | 4 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 993 | 18 | 11 | 15 | -3.0 | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O | None | ||
| 216237 | 3814 | 89 | 3H-AVP | -79 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 2226 | 3814 | 89 | 3H-AVP | -79 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 4110 | 3814 | 89 | 3H-AVP | -79 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| CHEMBL344159 | 3814 | 89 | 3H-AVP | -79 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 448537 | 160226 | 89 | None | -45 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
| CHEMBL411 | 160226 | 89 | None | -45 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
| 2042 | 2962 | 58 | 3H-AVP | -31 | 8 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 2962 | 58 | 3H-AVP | -31 | 8 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 2962 | 58 | 3H-AVP | -31 | 8 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 2962 | 58 | 3H-AVP | -31 | 8 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 2962 | 58 | 3H-AVP | -31 | 8 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 2962 | 58 | 3H-AVP | -31 | 8 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 441243 | 9804 | 58 | None | -33 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | None | ||
| CHEMBL114 | 9804 | 58 | None | -33 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 670 | 12 | 5 | 7 | 3.1 | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 | None | ||
| 392622 | 56282 | 95 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | None | ||
| CHEMBL163 | 56282 | 95 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | None | ||
| 119369 | 2588 | 74 | 3H-AVP | -31 | 8 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2588 | 74 | 3H-AVP | -31 | 8 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2588 | 74 | 3H-AVP | -31 | 8 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2588 | 74 | 3H-AVP | -31 | 8 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2042 | 2962 | 58 | 3H-Oxytocin | -31 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 2962 | 58 | 3H-Oxytocin | -31 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 2962 | 58 | 3H-Oxytocin | -31 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 2962 | 58 | 3H-Oxytocin | -31 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 2962 | 58 | 3H-Oxytocin | -31 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 2962 | 58 | 3H-Oxytocin | -31 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2042 | 2962 | 58 | None | -31 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 2174 | 2962 | 58 | None | -31 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 2176 | 2962 | 58 | None | -31 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 439302 | 2962 | 58 | None | -31 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL395429 | 2962 | 58 | None | -31 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| DB00107 | 2962 | 58 | None | -31 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 216237 | 3814 | 89 | None | -79 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 2226 | 3814 | 89 | None | -79 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 4110 | 3814 | 89 | None | -79 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| CHEMBL344159 | 3814 | 89 | None | -79 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 119369 | 2588 | 74 | None | -6 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2588 | 74 | None | -6 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2588 | 74 | None | -6 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2588 | 74 | None | -6 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 216237 | 3814 | 89 | None | -23 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 2226 | 3814 | 89 | None | -23 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 4110 | 3814 | 89 | None | -23 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| CHEMBL344159 | 3814 | 89 | None | -23 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 122172899 | 217677 | 0 | None | -1 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 1068 | 19 | 14 | 15 | -4.1 | NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O | None | ||
| 122172899 | 217677 | 0 | None | -1 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 1068 | 19 | 14 | 15 | -4.1 | NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O | None | ||
| 151171 | 1155 | 50 | None | 1 | 6 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 216322 | 1155 | 50 | None | 1 | 6 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 2203 | 1155 | 50 | None | 1 | 6 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 732 | 1155 | 50 | None | 1 | 6 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| CHEMBL1755 | 1155 | 50 | None | 1 | 6 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| DB00872 | 1155 | 50 | None | 1 | 6 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 151171 | 1155 | 50 | None | -3 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 216322 | 1155 | 50 | None | -3 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 2203 | 1155 | 50 | None | -3 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 732 | 1155 | 50 | None | -3 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| CHEMBL1755 | 1155 | 50 | None | -3 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| DB00872 | 1155 | 50 | None | -3 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 146681949 | 216051 | 0 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 133612094 | 216459 | 0 | None | 4 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 993 | 18 | 11 | 15 | -3.0 | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O | None | ||
| 10444 | 2312 | 14 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 30199637 | ||
| 139030525 | 2312 | 14 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 30199637 | ||
| 145711714 | 2312 | 14 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 30199637 | ||
| CHEMBL4204210 | 2312 | 14 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 30199637 | ||
| 2184 | 1479 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2184 | 1479 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 1649739 | ||||
| 2184 | 1479 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 151171 | 1155 | 50 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 9459574 | ||
| 151171 | 1155 | 50 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 9884074 | ||
| 216322 | 1155 | 50 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 9459574 | ||
| 216322 | 1155 | 50 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 9884074 | ||
| 2203 | 1155 | 50 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 9459574 | ||
| 2203 | 1155 | 50 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 9884074 | ||
| 732 | 1155 | 50 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 9459574 | ||
| 732 | 1155 | 50 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 9884074 | ||
| CHEMBL1755 | 1155 | 50 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 9459574 | ||
| CHEMBL1755 | 1155 | 50 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 9884074 | ||
| DB00872 | 1155 | 50 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 9459574 | ||
| DB00872 | 1155 | 50 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 9884074 | ||
| 2169 | 465 | 0 | None | -12 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 68649 | 465 | 0 | None | -12 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2169 | 465 | 0 | None | -7 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 68649 | 465 | 0 | None | -7 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2172 | 2376 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2959 | 2376 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 644076 | 2376 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL1200690 | 2376 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB14642 | 2376 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10519430 | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10866830 | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 16158071 | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 8106369 | ||
| 2200 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10519430 | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10866830 | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 16158071 | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 8106369 | ||
| 3482 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10519430 | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10866830 | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 16158071 | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 8106369 | ||
| 60943 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10519430 | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10866830 | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 16158071 | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 8106369 | ||
| CHEMBL419667 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10519430 | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10866830 | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 16158071 | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 8106369 | ||
| DB13929 | 3286 | 46 | None | 1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10866830 | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| 2168 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10866830 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| 2810 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10866830 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| 644077 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10866830 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| CHEMBL373742 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10866830 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| DB00067 | 3945 | 38 | None | -5 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 3867 | 1339 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | None | ||||
| 8529 | 3329 | 0 | None | 10000 | 3 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 439 | 4 | 0 | 4 | 3.9 | CN(CCN1CC(c2c1cc(Cl)cc2)C(=O)N1CCC2(CC1)OCc1c2cccc1)C | 25654260 | ||
| 91827367 | 3329 | 0 | None | 10000 | 3 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 439 | 4 | 0 | 4 | 3.9 | CN(CCN1CC(c2c1cc(Cl)cc2)C(=O)N1CCC2(CC1)OCc1c2cccc1)C | 25654260 | ||
| 12262 | 3650 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 731 | 13 | 1 | 6 | 6.2 | C[C@H](NC(=O)[C@@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1[C@H](/C=C/c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 | 17234419 | ||
| 165437864 | 3650 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 731 | 13 | 1 | 6 | 6.2 | C[C@H](NC(=O)[C@@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1[C@H](/C=C/c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 | 17234419 | ||
| 2188 | 1331 | 0 | None | -5011 | 4 | Rat | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 114904 | 2933 | 56 | None | -301 | 7 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 9322919 | ||
| 2196 | 2933 | 56 | None | -301 | 7 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 9322919 | ||
| CHEMBL296908 | 2933 | 56 | None | -301 | 7 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 9322919 | ||
| 2186 | 1330 | 0 | None | -5011 | 4 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2191 | 1433 | 0 | None | -25118 | 4 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2189 | 1432 | 0 | None | -7943 | 4 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2181 | 1319 | 42 | None | -645 | 7 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2182 | 1319 | 42 | None | -645 | 7 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 27991 | 1319 | 42 | None | -645 | 7 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL1429 | 1319 | 42 | None | -645 | 7 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL264448 | 1319 | 42 | None | -645 | 7 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| DB00035 | 1319 | 42 | None | -645 | 7 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2170 | 1320 | 0 | None | -158 | 3 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2173 | 2935 | 13 | None | -8 | 2 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10780976 | ||
| 3038506 | 2935 | 13 | None | -8 | 2 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10780976 | ||
| CHEMBL332447 | 2935 | 13 | None | -8 | 2 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10780976 | ||
| DB05838 | 2935 | 13 | None | -8 | 2 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10780976 | ||
| 2042 | 2962 | 58 | None | -31 | 8 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2174 | 2962 | 58 | None | -31 | 8 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2176 | 2962 | 58 | None | -31 | 8 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 439302 | 2962 | 58 | None | -31 | 8 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL395429 | 2962 | 58 | None | -31 | 8 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| DB00107 | 2962 | 58 | None | -31 | 8 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 119369 | 2588 | 74 | None | -31 | 8 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| 2197 | 2588 | 74 | None | -31 | 8 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| 4004 | 2588 | 74 | None | -31 | 8 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| CHEMBL420762 | 2588 | 74 | None | -31 | 8 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| 164712 | 3084 | 0 | None | -316 | 3 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2178 | 3084 | 0 | None | -316 | 3 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL3272682 | 3084 | 0 | None | -316 | 3 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 158348 | 3461 | 18 | None | -1318 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 11429400 | ||
| 158348 | 3461 | 18 | None | -1318 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9884074 | ||
| 2199 | 3461 | 18 | None | -1318 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 11429400 | ||
| 2199 | 3461 | 18 | None | -1318 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9884074 | ||
| CHEMBL4283439 | 3461 | 18 | None | -1318 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 11429400 | ||
| CHEMBL4283439 | 3461 | 18 | None | -1318 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9884074 | ||
| DB14923 | 3461 | 18 | None | -1318 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 11429400 | ||
| DB14923 | 3461 | 18 | None | -1318 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9884074 | ||
| 216237 | 3814 | 89 | None | -79 | 5 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| 2226 | 3814 | 89 | None | -79 | 5 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| 4110 | 3814 | 89 | None | -79 | 5 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| CHEMBL344159 | 3814 | 89 | None | -79 | 5 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| 2179 | 3786 | 0 | None | -44 | 2 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 2179 | 3786 | 0 | None | -44 | 2 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 3080871 | 3786 | 0 | None | -44 | 2 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 3080871 | 3786 | 0 | None | -44 | 2 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2192 | 2343 | 28 | None | -7 | 3 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 12660315 | ||
| 9690136 | 2343 | 28 | None | -7 | 3 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 12660315 | ||
| CHEMBL1254024 | 2343 | 28 | None | -7 | 3 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 12660315 | ||
| 10461270 | 3652 | 7 | None | -199 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 14722330 | ||
| 2201 | 3652 | 7 | None | -199 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 14722330 | ||
| CHEMBL1615640 | 3652 | 7 | None | -199 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 14722330 | ||
| 119369 | 2588 | 74 | None | -6 | 8 | Human | 7.0 | pKi | None | 7.0 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9322919 | ||
| 119369 | 2588 | 74 | None | -6 | 8 | Human | 7.0 | pKi | None | 7.0 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| 119369 | 2588 | 74 | None | -6 | 8 | Human | 7.0 | pKi | None | 7.0 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9884074 | ||
| 2197 | 2588 | 74 | None | -6 | 8 | Human | 7.0 | pKi | None | 7.0 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9322919 | ||
| 2197 | 2588 | 74 | None | -6 | 8 | Human | 7.0 | pKi | None | 7.0 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| 2197 | 2588 | 74 | None | -6 | 8 | Human | 7.0 | pKi | None | 7.0 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9884074 | ||
| 4004 | 2588 | 74 | None | -6 | 8 | Human | 7.0 | pKi | None | 7.0 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9322919 | ||
| 4004 | 2588 | 74 | None | -6 | 8 | Human | 7.0 | pKi | None | 7.0 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| 4004 | 2588 | 74 | None | -6 | 8 | Human | 7.0 | pKi | None | 7.0 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9884074 | ||
| CHEMBL420762 | 2588 | 74 | None | -6 | 8 | Human | 7.0 | pKi | None | 7.0 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9322919 | ||
| CHEMBL420762 | 2588 | 74 | None | -6 | 8 | Human | 7.0 | pKi | None | 7.0 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| CHEMBL420762 | 2588 | 74 | None | -6 | 8 | Human | 7.0 | pKi | None | 7.0 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9884074 | ||
| 2202 | 2741 | 33 | None | -58 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 11861823 | ||
| 9895468 | 2741 | 33 | None | -58 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 11861823 | ||
| CHEMBL582857 | 2741 | 33 | None | -58 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 11861823 | ||
| DB12643 | 2741 | 33 | None | -58 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 11861823 | ||
| 2187 | 1329 | 0 | None | -177 | 4 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2215 | 1332 | 0 | None | 1 | 3 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| 2215 | 1332 | 0 | None | 1 | 3 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2181 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2181 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2181 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2181 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2181 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 2181 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2182 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2182 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2182 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2182 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2182 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 2182 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 27991 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 27991 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 27991 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 27991 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 27991 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 27991 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL1429 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| CHEMBL1429 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL1429 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL1429 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL1429 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| CHEMBL1429 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL264448 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| CHEMBL264448 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL264448 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL264448 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL264448 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| CHEMBL264448 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| DB00035 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| DB00035 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00035 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00035 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00035 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| DB00035 | 1319 | 42 | None | -28 | 7 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2190 | 1431 | 0 | None | -79 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 135413562 | 2193 | 15 | None | -16 | 5 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 16302826 | ||
| 2194 | 2193 | 15 | None | -16 | 5 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 16302826 | ||
| CHEMBL445816 | 2193 | 15 | None | -16 | 5 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 16302826 | ||
| 2214 | 1333 | 0 | None | 1 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 171113 | 3939 | 0 | None | -31 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2180 | 3939 | 0 | None | -31 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL3274309 | 3939 | 0 | None | -31 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2042 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2174 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2176 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 439302 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| CHEMBL395429 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| DB00107 | 2962 | 58 | None | -29 | 8 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2198 | 3394 | 2 | None | -46 | 2 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 16620295 | ||
| 9807249 | 3394 | 2 | None | -46 | 2 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 16620295 | ||
| CHEMBL1192593 | 3394 | 2 | None | -46 | 2 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 16620295 | ||
| 2183 | 1501 | 0 | None | -11 | 3 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2183 | 1501 | 0 | None | -11 | 3 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 6441676 | 1501 | 0 | None | -11 | 3 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 6441676 | 1501 | 0 | None | -11 | 3 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 216237 | 3814 | 89 | None | -23 | 5 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| 2226 | 3814 | 89 | None | -23 | 5 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| 4110 | 3814 | 89 | None | -23 | 5 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| CHEMBL344159 | 3814 | 89 | None | -23 | 5 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| 2222 | 1341 | 0 | None | 794 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2221 | 1343 | 0 | None | -17 | 4 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| 2221 | 1343 | 0 | None | -17 | 4 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2213 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2213 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2213 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 2213 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| 3008 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 3008 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 3008 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 3008 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| 5311010 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 5311010 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 5311010 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 5311010 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| CHEMBL382301 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| CHEMBL382301 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL382301 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| CHEMBL382301 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| DB09059 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| DB09059 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| DB09059 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| DB09059 | 517 | 46 | None | 28 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| 2181 | 1319 | 42 | None | -28 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2181 | 1319 | 42 | None | -28 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2182 | 1319 | 42 | None | -28 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2182 | 1319 | 42 | None | -28 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 27991 | 1319 | 42 | None | -28 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 27991 | 1319 | 42 | None | -28 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL1429 | 1319 | 42 | None | -28 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL1429 | 1319 | 42 | None | -28 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL264448 | 1319 | 42 | None | -28 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL264448 | 1319 | 42 | None | -28 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00035 | 1319 | 42 | None | -28 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| DB00035 | 1319 | 42 | None | -28 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2168 | 3945 | 38 | None | -8 | 9 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2810 | 3945 | 38 | None | -8 | 9 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 644077 | 3945 | 38 | None | -8 | 9 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL373742 | 3945 | 38 | None | -8 | 9 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| DB00067 | 3945 | 38 | None | -8 | 9 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2209 | 3068 | 0 | None | 281 | 3 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| 2209 | 3068 | 0 | None | 281 | 3 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2223 | 1340 | 0 | None | 3 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 10866830 | ||||
| 2223 | 1340 | 0 | None | 3 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2223 | 1340 | 0 | None | 3 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2223 | 1340 | 0 | None | 3 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 2223 | 1340 | 0 | None | 3 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2223 | 1340 | 0 | None | 3 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 6917952 | 1340 | 0 | None | 3 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 10866830 | ||||
| 6917952 | 1340 | 0 | None | 3 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 6917952 | 1340 | 0 | None | 3 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 6917952 | 1340 | 0 | None | 3 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||
| 6917952 | 1340 | 0 | None | 3 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 6917952 | 1340 | 0 | None | 3 | 4 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2219 | 1342 | 0 | None | -1 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 11337500 | ||||
| 2208 | 3067 | 0 | None | 31 | 3 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8106369 | ||||
| 2208 | 3067 | 0 | None | 31 | 3 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2216 | 1337 | 0 | None | 1 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10866830 | ||||
| 122322 | 1338 | 0 | None | 8 | 3 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2217 | 1338 | 0 | None | 8 | 3 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 119517 | 1462 | 0 | None | 7 | 3 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2225 | 1462 | 0 | None | 7 | 3 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2210 | 3069 | 0 | None | 12 | 3 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2212 | 3731 | 0 | None | 63 | 3 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2185 | 1480 | 0 | None | -1 | 3 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2211 | 3070 | 0 | None | 25 | 3 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2205 | 4092 | 6 | None | -1 | 5 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 11429400 | ||
| 9810140 | 4092 | 6 | None | -1 | 5 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 11429400 | ||
| CHEMBL307483 | 4092 | 6 | None | -1 | 5 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 11429400 | ||
| 2195 | 2891 | 0 | None | 3 | 3 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2204 | 4086 | 5 | None | 229 | 4 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 15661579 | ||
| 9917025 | 4086 | 5 | None | 229 | 4 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 15661579 | ||
| CHEMBL3307200 | 4086 | 5 | None | 229 | 4 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 15661579 | ||
| 2193 | 108 | 0 | None | - | 1 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 9334232 | ||||