Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
| 2168 | 3976 | None | 29 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 12 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 2810 | 3976 | None | 29 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 12 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 644077 | 3976 | None | 29 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 12 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 644077.0 | 3976 | None | 29 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 12 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL373742 | 3976 | None | 29 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 12 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| DB00067 | 3976 | None | 29 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 12 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 2168 | 3976 | None | 29 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 12 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 2810 | 3976 | None | 29 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 12 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 644077 | 3976 | None | 29 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 12 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 644077.0 | 3976 | None | 29 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 12 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL373742 | 3976 | None | 29 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 12 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| DB00067 | 3976 | None | 29 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 12 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL1819441 | 211473 | None | 0 | Rat | Functional | pEC50 | = | 10.2 | 10.2 | 1 | 4 | 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 | 211473 | None | 0 | Rat | Functional | pEC50 | = | 10.1 | 10.1 | 1 | 4 | 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 | 211447 | None | 0 | Rat | Functional | pEC50 | = | 10 | 10.0 | 2 | 5 | 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 | 211447 | None | 0 | Rat | Functional | pEC50 | = | 10.0 | 10.0 | 2 | 5 | 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 | 211476 | None | 6 | Rat | Functional | pEC50 | = | 9.9 | 9.9 | 2 | 4 | 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 | 211476 | None | 6 | Rat | Functional | pEC50 | = | 9.9 | 9.9 | 2 | 4 | 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 | 211445 | None | 0 | Rat | Functional | pEC50 | = | 9.9 | 9.9 | 2 | 5 | 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 | 115046 | None | 0 | Human | Functional | pEC50 | = | 9.9 | 9.9 | 9 | 2 | ChEMBL | 334 | 4 | 1 | 5 | 2.7 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | |||
| CHEMBL3342789 | 115046 | None | 0 | Human | Functional | pEC50 | = | 9.9 | 9.9 | 9 | 2 | ChEMBL | 334 | 4 | 1 | 5 | 2.7 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | |||
| 3601935 | 162457 | None | 0 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -1 | 2 | ChEMBL | 271 | 3 | 1 | 4 | 1.9 | Cn1nccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | |||
| CHEMBL4165132 | 162457 | None | 0 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -1 | 2 | ChEMBL | 271 | 3 | 1 | 4 | 1.9 | Cn1nccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | |||
| CHEMBL1817704 | 211445 | None | 0 | Rat | Functional | pEC50 | = | 9.9 | 9.9 | 2 | 5 | 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 | 211474 | None | 0 | Human | Functional | pEC50 | = | 9.9 | 9.9 | 64 | 3 | 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 | 211474 | None | 0 | Human | Functional | pEC50 | = | 9.9 | 9.9 | 64 | 3 | 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 | 211473 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -1 | 4 | 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 | 211473 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -1 | 4 | 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 | 115047 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 5 | 2 | 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 | 115047 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 5 | 2 | 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 | 162950 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -1 | 2 | ChEMBL | 305 | 3 | 1 | 4 | 2.2 | Cn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2017.05.013 | |||
| CHEMBL4173036 | 162950 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -1 | 2 | ChEMBL | 305 | 3 | 1 | 4 | 2.2 | Cn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2017.05.013 | |||
| CHEMBL1817707 | 211448 | None | 0 | Rat | Functional | pEC50 | = | 9.8 | 9.8 | 3 | 5 | 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 | 211448 | None | 0 | Rat | Functional | pEC50 | = | 9.8 | 9.8 | 3 | 5 | 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 | 2983 | None | 40 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | |||||
| 2174 | 2983 | None | 40 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | |||||
| 2176 | 2983 | None | 40 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | |||||
| 439302 | 2983 | None | 40 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | |||||
| 439302.0 | 2983 | None | 40 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | |||||
| CHEMBL395429 | 2983 | None | 40 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | |||||
| DB00107 | 2983 | None | 40 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | |||||
| CHEMBL1817706 | 211447 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -2 | 5 | 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 | 211447 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -2 | 5 | 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 | 211475 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 14 | 4 | 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 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 2810 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 644077 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 644077.0 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| DB00067 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL1819541 | 211475 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 14 | 4 | 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 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 2810 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 644077 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 644077.0 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| DB00067 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL1819555 | 211488 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 8 | 4 | 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 | 211488 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 8 | 4 | 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 | 211446 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 1 | 5 | 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 | 211446 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 1 | 5 | 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 | 211476 | None | 6 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -2 | 4 | 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 | 211476 | None | 6 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -2 | 4 | 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 | 211446 | None | 0 | Rat | Functional | pEC50 | = | 9.5 | 9.5 | -1 | 5 | 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 | 211446 | None | 0 | Rat | Functional | pEC50 | = | 9.5 | 9.5 | -1 | 5 | 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 | 211460 | None | 0 | Rat | Functional | pEC50 | = | 9.5 | 9.5 | 2 | 5 | 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 | 211460 | None | 0 | Rat | Functional | pEC50 | = | 9.5 | 9.5 | 2 | 5 | 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 | 211443 | None | 0 | Rat | Functional | pEC50 | = | 9.5 | 9.5 | 2 | 4 | 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 | 211443 | None | 0 | Rat | Functional | pEC50 | = | 9.5 | 9.5 | 2 | 4 | 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 | 211472 | None | 20 | Rat | Functional | pEC50 | = | 9.5 | 9.5 | 1 | 5 | 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 | 211472 | None | 20 | Rat | Functional | pEC50 | = | 9.5 | 9.5 | 1 | 5 | 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 | 211445 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -2 | 5 | 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 | 211445 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -2 | 5 | 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 | 211477 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | 18 | 4 | 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 | 211477 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | 18 | 4 | 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 | 211482 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | 53 | 4 | 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 | 64799 | None | 0 | Rat | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | 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 | 64799 | None | 0 | Rat | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | 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 | 211482 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | 53 | 4 | 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 | 64799 | None | 0 | Rat | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | 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 | 64799 | None | 0 | Rat | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | 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 | 3577 | None | 12 | Rat | Functional | pEC50 | = | 9.3 | 9.3 | 4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 53330936 | 3577 | None | 12 | Rat | Functional | pEC50 | = | 9.3 | 9.3 | 4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL1817709 | 3577 | None | 12 | Rat | Functional | pEC50 | = | 9.3 | 9.3 | 4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| DB12495 | 3577 | None | 12 | Rat | Functional | pEC50 | = | 9.3 | 9.3 | 4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 11454 | 3577 | None | 12 | Rat | Functional | pEC50 | = | 9.3 | 9.3 | 4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 53330936 | 3577 | None | 12 | Rat | Functional | pEC50 | = | 9.3 | 9.3 | 4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL1817709 | 3577 | None | 12 | Rat | Functional | pEC50 | = | 9.3 | 9.3 | 4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| DB12495 | 3577 | None | 12 | Rat | Functional | pEC50 | = | 9.3 | 9.3 | 4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL1817707 | 211448 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -3 | 5 | 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 | 211448 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -3 | 5 | 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 | 211483 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | 47 | 4 | 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 | 211483 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | 47 | 4 | 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 | 211455 | None | 0 | Rat | Functional | pEC50 | = | 9.2 | 9.2 | 4 | 5 | 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 | 211455 | None | 0 | Rat | Functional | pEC50 | = | 9.2 | 9.2 | 4 | 5 | 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 | |||||
| 2168 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.3c01415 | |||||
| 2810 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.3c01415 | |||||
| 644077 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.3c01415 | |||||
| 644077.0 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.3c01415 | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.3c01415 | |||||
| DB00067 | 3976 | None | 29 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -15 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.3c01415 | |||||
| CHEMBL1817761 | 211460 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -2 | 5 | 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 | 211472 | None | 20 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -1 | 5 | 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 | 211460 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -2 | 5 | 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 | 211472 | None | 20 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -1 | 5 | 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 | 211487 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | 5 | 4 | 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 | 211487 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | 5 | 4 | 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 | 211449 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | 53 | 4 | 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 | 211449 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | 53 | 4 | 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 | 211443 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -2 | 4 | 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 | 211443 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -2 | 4 | 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 | 211489 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 67 | 4 | 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 | 211489 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 67 | 4 | 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 | 211453 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | 7 | 3 | 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 | 211453 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | 7 | 3 | 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 | 64645 | None | 0 | Rat | Functional | pEC50 | = | 9 | 9.0 | 1 | 3 | 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 | 64645 | None | 0 | Rat | Functional | pEC50 | = | 9 | 9.0 | 1 | 3 | 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 | 64824 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 25 | 3 | 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 | 64824 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 25 | 3 | 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 | 64824 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 25 | 3 | 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 | 64824 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 25 | 3 | 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 | 211451 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 77 | 4 | 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 | 211442 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 5 | 3 | 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 | 211451 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 77 | 4 | 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 | 211469 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 40 | 4 | 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 | 211469 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 40 | 4 | 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 | 211442 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 5 | 3 | 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 | 211454 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 20 | 2 | 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 | 211454 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 20 | 2 | 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 | 211471 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 11 | 2 | 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 | 211471 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 11 | 2 | 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 | 64645 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | -1 | 3 | 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 | 64645 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | -1 | 3 | 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 | 64645 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | -1 | 3 | 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 | 64645 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | -1 | 3 | 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 | 211450 | None | 0 | Rat | Functional | pEC50 | = | 8.7 | 8.7 | 1 | 3 | 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 | 211456 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | 52 | 2 | 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 | 211468 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 7 | 2 | 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 | 211485 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 3 | 3 | 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 | 179390 | None | 3 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 346 | 3 | 0 | 5 | 4.0 | CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1 | nan | |||
| CHEMBL473106 | 179390 | None | 3 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 346 | 3 | 0 | 5 | 4.0 | CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1 | nan | |||
| CHEMBL1817769 | 211468 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 7 | 2 | 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 | 211485 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 3 | 3 | 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 | 211461 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 43 | 2 | 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 | 64642 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 5 | 3 | 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 | 64642 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 5 | 3 | 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 | 55055 | None | 12 | Human | Functional | pEC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 265 | 4 | 2 | 2 | 3.5 | Oc1ccc(Cl)cc1CNCc1ccc(F)cc1 | nan | |||
| CHEMBL1356933 | 55055 | None | 12 | Human | Functional | pEC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 265 | 4 | 2 | 2 | 3.5 | Oc1ccc(Cl)cc1CNCc1ccc(F)cc1 | nan | |||
| CHEMBL1616435 | 55055 | None | 12 | Human | Functional | pEC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 265 | 4 | 2 | 2 | 3.5 | Oc1ccc(Cl)cc1CNCc1ccc(F)cc1 | nan | |||
| 53362202 | 64642 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 5 | 3 | 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 | 64642 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 5 | 3 | 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 | 211461 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 43 | 2 | 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 | 211466 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 10 | 2 | 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 | 211466 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 10 | 2 | 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 | 211486 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 19 | 3 | 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 | 98628 | None | 55 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 238 | 1 | 2 | 1 | 3.1 | Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 | nan | |||
| CHEMBL276711 | 98628 | None | 55 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 238 | 1 | 2 | 1 | 3.1 | Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 | nan | |||
| 2919564 | 30210 | None | 14 | Human | Functional | pEC50 | = | 4.9 | 4.9 | 1 | 2 | ChEMBL | 404 | 9 | 2 | 5 | 4.0 | COc1ccc(CCNCC(O)Cn2c3ccccc3c3ccccc32)cc1OC | nan | |||
| CHEMBL1390471 | 30210 | None | 14 | Human | Functional | pEC50 | = | 4.9 | 4.9 | 1 | 2 | ChEMBL | 404 | 9 | 2 | 5 | 4.0 | COc1ccc(CCNCC(O)Cn2c3ccccc3c3ccccc32)cc1OC | nan | |||
| CHEMBL1819553 | 211486 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 19 | 3 | 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 | 211462 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 19 | 3 | 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 | 211458 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 31 | 3 | 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 | 211462 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 19 | 3 | 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 | 211458 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 31 | 3 | 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 | 211459 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 14 | 2 | 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 | |||||
| 172455511 | 196334 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -72 | 2 | ChEMBL | 1187 | 21 | 14 | 18 | -3.0 | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(/N=N\c3ccccc3)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/acs.jmedchem.3c01415 | |||
| CHEMBL5421609 | 196334 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -72 | 2 | ChEMBL | 1187 | 21 | 14 | 18 | -3.0 | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(/N=N\c3ccccc3)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/acs.jmedchem.3c01415 | |||
| CHEMBL1817758 | 211457 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 63 | 3 | 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 | 211459 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 14 | 2 | 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 | 211457 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 63 | 3 | 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 | 56110 | None | 5 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 425 | 5 | 1 | 5 | 4.7 | N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 | nan | |||
| CHEMBL1587205 | 56110 | None | 5 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 425 | 5 | 1 | 5 | 4.7 | N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 | nan | |||
| CHEMBL1625302 | 56110 | None | 5 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 425 | 5 | 1 | 5 | 4.7 | N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 | nan | |||
| 53362312 | 64649 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 3 | 2 | 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 | 64649 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 3 | 2 | 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 | 64649 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 3 | 2 | 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 | 64649 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 3 | 2 | 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 | 35412 | None | 0 | Human | Functional | pEC50 | = | 4.8 | 4.8 | 1 | 2 | ChEMBL | 282 | 4 | 2 | 3 | 3.4 | Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 | nan | |||
| CHEMBL1437791 | 35412 | None | 0 | Human | Functional | pEC50 | = | 4.8 | 4.8 | 1 | 2 | ChEMBL | 282 | 4 | 2 | 3 | 3.4 | Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 | nan | |||
| CHEMBL3211384 | 35412 | None | 0 | Human | Functional | pEC50 | = | 4.8 | 4.8 | 1 | 2 | ChEMBL | 282 | 4 | 2 | 3 | 3.4 | Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 | nan | |||
| CHEMBL1817671 | 211441 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 53 | 3 | 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 | 211441 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 53 | 3 | 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 | 211481 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 22 | 4 | 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 | 107642 | None | 5 | Human | Functional | pEC50 | = | 4.7 | 4.7 | 1 | 2 | ChEMBL | 379 | 6 | 2 | 6 | 2.0 | CCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccncc3)oc2c1 | nan | |||
| CHEMBL3189462 | 107642 | None | 5 | Human | Functional | pEC50 | = | 4.7 | 4.7 | 1 | 2 | ChEMBL | 379 | 6 | 2 | 6 | 2.0 | CCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccncc3)oc2c1 | nan | |||
| CHEMBL1819547 | 211481 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 22 | 4 | 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 | 211450 | None | 0 | Rat | Functional | pEC50 | = | 8.7 | 8.7 | 1 | 3 | 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 | 64648 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 1 | 3 | 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 | 64648 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 1 | 3 | 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 | 211488 | None | 0 | Rat | Functional | pEC50 | = | 8.7 | 8.7 | -8 | 4 | 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 | 64648 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 1 | 3 | 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 | 64648 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 1 | 3 | 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 | 211488 | None | 0 | Rat | Functional | pEC50 | = | 8.7 | 8.7 | -8 | 4 | 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 | 211484 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 47 | 4 | 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 | 211484 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 47 | 4 | 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 | 3577 | None | 12 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 53330936 | 3577 | None | 12 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL1817709 | 3577 | None | 12 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| DB12495 | 3577 | None | 12 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL1817753 | 211452 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 26 | 2 | 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 | 3577 | None | 12 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| 53330936 | 3577 | None | 12 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL1817709 | 3577 | None | 12 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| DB12495 | 3577 | None | 12 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | ChEMBL | None | None | None | None | 10.1021/jm200278m | |||||
| CHEMBL1817753 | 211452 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 26 | 2 | 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 | 211455 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | 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 | 211455 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | 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 | 64654 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 1 | 4 | 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 | 64654 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 1 | 4 | 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 | 64654 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 1 | 4 | 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 | 64654 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 1 | 4 | 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 | 64648 | None | 0 | Rat | Functional | pEC50 | = | 8.6 | 8.6 | -1 | 3 | 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 | 64648 | None | 0 | Rat | Functional | pEC50 | = | 8.6 | 8.6 | -1 | 3 | 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 | 64648 | None | 0 | Rat | Functional | pEC50 | = | 8.6 | 8.6 | -1 | 3 | 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 | 64648 | None | 0 | Rat | Functional | pEC50 | = | 8.6 | 8.6 | -1 | 3 | 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 | 211450 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -1 | 3 | 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 | 211450 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -1 | 3 | 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 | 64823 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 7 | 3 | 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 | 64823 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 7 | 3 | 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 | 56001 | None | 6 | Human | Functional | pEC50 | = | 4.7 | 4.7 | 1 | 2 | ChEMBL | 402 | 5 | 2 | 3 | 5.1 | COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 | nan | |||
| CHEMBL1549574 | 56001 | None | 6 | Human | Functional | pEC50 | = | 4.7 | 4.7 | 1 | 2 | ChEMBL | 402 | 5 | 2 | 3 | 5.1 | COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 | nan | |||
| CHEMBL1624349 | 56001 | None | 6 | Human | Functional | pEC50 | = | 4.7 | 4.7 | 1 | 2 | ChEMBL | 402 | 5 | 2 | 3 | 5.1 | COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 | nan | |||
| 53362154 | 64823 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 7 | 3 | 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 | 64823 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 7 | 3 | 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 | 55288 | None | 1 | Human | Functional | pEC50 | = | 4.7 | 4.7 | 1 | 2 | ChEMBL | 330 | 1 | 1 | 3 | 4.0 | Clc1ccc2c(c1)C(N1CCNCC1)Cc1ccccc1S2 | nan | |||
| CHEMBL1339676 | 55288 | None | 1 | Human | Functional | pEC50 | = | 4.7 | 4.7 | 1 | 2 | ChEMBL | 330 | 1 | 1 | 3 | 4.0 | Clc1ccc2c(c1)C(N1CCNCC1)Cc1ccccc1S2 | nan | |||
| CHEMBL1618211 | 55288 | None | 1 | Human | Functional | pEC50 | = | 4.7 | 4.7 | 1 | 2 | ChEMBL | 330 | 1 | 1 | 3 | 4.0 | Clc1ccc2c(c1)C(N1CCNCC1)Cc1ccccc1S2 | nan | |||
| 23983726 | 48861 | None | 3 | Human | Functional | pEC50 | = | 5.6 | 5.6 | 1 | 2 | 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 | 48861 | None | 3 | Human | Functional | pEC50 | = | 5.6 | 5.6 | 1 | 2 | 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 | 2983 | None | 40 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | |||||
| 2174 | 2983 | None | 40 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | |||||
| 2176 | 2983 | None | 40 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | |||||
| 439302 | 2983 | None | 40 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | |||||
| 439302.0 | 2983 | None | 40 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | |||||
| CHEMBL395429 | 2983 | None | 40 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | |||||
| DB00107 | 2983 | None | 40 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | |||||
| CHEMBL1817703 | 211444 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 7 | 3 | 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 | 211479 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 6 | 2 | 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 | 211470 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 44 | 2 | 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 | 211470 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 44 | 2 | 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 | 64643 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 10 | 2 | 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 | 64643 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 10 | 2 | 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 | 64643 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 10 | 2 | 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 | 64643 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 10 | 2 | 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 | 64653 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 2 | 3 | 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 | 64653 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 2 | 3 | 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 | 64653 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 2 | 3 | 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 | 64653 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 2 | 3 | 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 | 211444 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 7 | 3 | 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 | 211479 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 6 | 2 | 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 | 64822 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 2 | 3 | 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 | 64822 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 2 | 3 | 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 | 64822 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 2 | 3 | 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 | 64822 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 2 | 3 | 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 | 64646 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 13 | 3 | 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 | 64646 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 13 | 3 | 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 | 64646 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 13 | 3 | 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 | 64646 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 13 | 3 | 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 | 211487 | None | 0 | Rat | Functional | pEC50 | = | 8.4 | 8.4 | -5 | 4 | 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 | 211487 | None | 0 | Rat | Functional | pEC50 | = | 8.4 | 8.4 | -5 | 4 | 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 | 64652 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 8 | 2 | 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 | 64652 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 8 | 2 | 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 | 64654 | None | 0 | Rat | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 4 | 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 | 64654 | None | 0 | Rat | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 4 | 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 | 64652 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 8 | 2 | 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 | 64652 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 8 | 2 | 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 | 64654 | None | 0 | Rat | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 4 | 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 | 64654 | None | 0 | Rat | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 4 | 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 | 169078 | None | 10 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -208 | 4 | 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 | 169078 | None | 10 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -208 | 4 | 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 | 40159 | None | 4 | Human | Functional | pEC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 384 | 6 | 2 | 5 | 3.2 | CC(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)N1CCOCC1 | nan | |||
| CHEMBL1479813 | 40159 | None | 4 | Human | Functional | pEC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 384 | 6 | 2 | 5 | 3.2 | CC(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)N1CCOCC1 | nan | |||
| 2871994 | 41703 | None | 10 | Human | Functional | pEC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 324 | 3 | 1 | 4 | 2.4 | O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1CCO | nan | |||
| CHEMBL1492232 | 41703 | None | 10 | Human | Functional | pEC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 324 | 3 | 1 | 4 | 2.4 | O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1CCO | nan | |||
| 53362368 | 64651 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 5 | 2 | 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 | 64651 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 5 | 2 | 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 | 64651 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 5 | 2 | 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 | 64651 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 5 | 2 | 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 | 64644 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 5 | 2 | 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 | 64644 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 5 | 2 | 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 | 64644 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 5 | 2 | 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 | 64644 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 5 | 2 | 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 | 211478 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | 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 | 211478 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | 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 | 211469 | None | 0 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -40 | 4 | 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 | 211469 | None | 0 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -40 | 4 | 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 | 64821 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 9 | 4 | 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 | 64821 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 9 | 4 | 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 | 64821 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 9 | 4 | 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 | 64821 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 9 | 4 | 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 | 51769 | None | 4 | Human | Functional | pEC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 407 | 5 | 2 | 3 | 4.6 | CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccccc1)N1CCOCC1 | nan | |||
| CHEMBL1584768 | 51769 | None | 4 | Human | Functional | pEC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 407 | 5 | 2 | 3 | 4.6 | CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccccc1)N1CCOCC1 | nan | |||
| 1471100 | 24425 | None | 12 | Human | Functional | pEC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 350 | 1 | 1 | 4 | 3.7 | O=c1c2cc(Br)ccc2nc(-c2cccc(Cl)c2)n1O | nan | |||
| CHEMBL1341433 | 24425 | None | 12 | Human | Functional | pEC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 350 | 1 | 1 | 4 | 3.7 | O=c1c2cc(Br)ccc2nc(-c2cccc(Cl)c2)n1O | nan | |||
| 53362156 | 64641 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | 7 | 3 | 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 | 64641 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | 7 | 3 | 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 | 64641 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | 7 | 3 | 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 | 64641 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | 7 | 3 | 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 | 211463 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 47 | 2 | 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 | 211463 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 47 | 2 | 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 | 211464 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 51 | 2 | 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 | 211464 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 51 | 2 | 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 | 211467 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 15 | 2 | 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 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | |||||
| 2174 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | |||||
| 2176 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | |||||
| 439302 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | |||||
| 439302.0 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | |||||
| CHEMBL395429 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | |||||
| DB00107 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | |||||
| CHEMBL1817768 | 211467 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 15 | 2 | 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 | 211465 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 13 | 2 | 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 | 64647 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 3 | 2 | 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 | 64647 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 3 | 2 | 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 | 211465 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 13 | 2 | 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 | 211453 | None | 0 | Rat | Functional | pEC50 | = | 8.1 | 8.1 | -7 | 3 | 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 | |||||
| 172455511 | 196347 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -6 | 2 | ChEMBL | 1187 | 21 | 14 | 18 | -3.0 | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(/N=N/c3ccccc3)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/acs.jmedchem.3c01415 | |||
| CHEMBL5421960 | 196347 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -6 | 2 | ChEMBL | 1187 | 21 | 14 | 18 | -3.0 | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(/N=N/c3ccccc3)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/acs.jmedchem.3c01415 | |||
| 53362310 | 64647 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 3 | 2 | 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 | 64647 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 3 | 2 | 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 | 211453 | None | 0 | Rat | Functional | pEC50 | = | 8.1 | 8.1 | -7 | 3 | 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 | 211442 | None | 0 | Rat | Functional | pEC50 | = | 8.1 | 8.1 | -5 | 3 | 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 | 211442 | None | 0 | Rat | Functional | pEC50 | = | 8.1 | 8.1 | -5 | 3 | 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 | 72942 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | - | 1 | 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 | 72942 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | - | 1 | 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 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | |||||
| 2174 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | |||||
| 2176 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | |||||
| 439302 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | |||||
| 439302.0 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | |||||
| CHEMBL395429 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | |||||
| DB00107 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -3 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | |||||
| 9935206 | 66083 | None | 0 | Human | Functional | pIC50 | = | 9.3 | 9.3 | - | 1 | 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 | 66083 | None | 0 | Human | Functional | pIC50 | = | 9.3 | 9.3 | - | 1 | 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 | 183618 | None | 0 | Human | Functional | pIC50 | = | 9 | 9.0 | - | 1 | 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 | 183618 | None | 0 | Human | Functional | pIC50 | = | 9 | 9.0 | - | 1 | 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 | 183618 | None | 0 | Human | Functional | pIC50 | = | 9 | 9.0 | - | 1 | 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 | 183618 | None | 0 | Human | Functional | pIC50 | = | 9 | 9.0 | - | 1 | 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 | 216717 | None | 0 | Human | Functional | pIC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | None | None | None | OC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | |||||
| CHEMBL5074709 | 216815 | None | 0 | Human | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | 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 | 66086 | None | 0 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 74 | 2 | 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 | 66086 | None | 0 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 74 | 2 | 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 | 183589 | None | 0 | Human | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | 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 | 183589 | None | 0 | Human | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | 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 | 180852 | None | 0 | Human | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | 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 | 180852 | None | 0 | Human | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | 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 | 216714 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | 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 | 217231 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | None | None | None | Cc1ccc2c(c1)CC(O)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c00863 | |||||
| 162669344 | 182792 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | - | 1 | 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 | 182792 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | - | 1 | 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 | 2326 | None | 17 | Human | Functional | pIC50 | = | 7 | 7.0 | -61 | 4 | 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 | 2326 | None | 17 | Human | Functional | pIC50 | = | 7 | 7.0 | -61 | 4 | 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 | 2326 | None | 17 | Human | Functional | pIC50 | = | 7 | 7.0 | -61 | 4 | 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 | 2326 | None | 17 | Human | Functional | pIC50 | = | 7 | 7.0 | -61 | 4 | 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 | 179975 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | - | 1 | 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 | 179975 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | - | 1 | 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 | 182624 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | - | 1 | ChEMBL | 371 | 1 | 1 | 4 | 3.3 | C[C@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4787124 | 182624 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | - | 1 | ChEMBL | 371 | 1 | 1 | 4 | 3.3 | C[C@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1 | 10.1016/j.bmcl.2020.127416 | |||
| 135192889 | 174153 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -25 | 2 | 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 | 174153 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -25 | 2 | 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 | 181167 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | 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 | 181167 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | 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 | 182018 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | 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 | 182018 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | 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 | 66079 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 380 | 2 | 1 | 6 | 3.3 | Clc1ccc2c(c1)CNCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837035 | 66079 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 380 | 2 | 1 | 6 | 3.3 | Clc1ccc2c(c1)CNCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | |||
| 145965794 | 164468 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 462 | 5 | 3 | 7 | 2.6 | COC(=O)CNC(=O)NCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1C | 10.1021/acs.jmedchem.8b00697 | |||
| CHEMBL4212928 | 164468 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 462 | 5 | 3 | 7 | 2.6 | COC(=O)CNC(=O)NCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1C | 10.1021/acs.jmedchem.8b00697 | |||
| 137212772 | 138027 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | 3 | 2 | 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 | 138027 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | 3 | 2 | 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 | 138027 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | 3 | 2 | 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 | 138027 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | 3 | 2 | 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 | 94150 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -91 | 2 | 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 | 94150 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -91 | 2 | 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 | 66062 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 333 | 4 | 0 | 5 | 3.4 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837018 | 66062 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 333 | 4 | 0 | 5 | 3.4 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 162661138 | 181615 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 345 | 2 | 0 | 5 | 3.5 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3CCC4)CC2)nc1 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4764976 | 181615 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 345 | 2 | 0 | 5 | 3.5 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3CCC4)CC2)nc1 | 10.1016/j.bmcl.2020.127417 | |||
| 9829108 | 5238 | None | 1 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | 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 | 5238 | None | 1 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | 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 | 3311 | None | 35 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 371 | 3 | 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 | 3311 | None | 35 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 371 | 3 | 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 | 3311 | None | 35 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 371 | 3 | 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 | 3311 | None | 35 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 371 | 3 | 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 | 3311 | None | 35 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 371 | 3 | 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 | 180069 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 423 | 2 | 0 | 5 | 4.3 | Brc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4746716 | 180069 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 423 | 2 | 0 | 5 | 4.3 | Brc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| 23598619 | 94592 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | 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 | 94592 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | 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 | 66056 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 349 | 4 | 0 | 6 | 3.4 | COc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837012 | 66056 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 349 | 4 | 0 | 6 | 3.4 | COc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 21064040 | 66074 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 377 | 3 | 0 | 7 | 3.1 | COc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837030 | 66074 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 377 | 3 | 0 | 7 | 3.1 | COc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | |||
| 162661774 | 181511 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | 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 | 181511 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | 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 | 108243 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | 2 | 2 | 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 | 108243 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | 2 | 2 | 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 | 161458 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 123 | 4 | 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 | 161458 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 123 | 4 | 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 | 179712 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | 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 | 179712 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | 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 | 180996 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 370 | 1 | 1 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCNc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4757593 | 180996 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 370 | 1 | 1 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCNc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| 162660975 | 181963 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 365 | 2 | 0 | 5 | 3.8 | Clc1ccc2c(c1)CCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4778700 | 181963 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 365 | 2 | 0 | 5 | 3.8 | Clc1ccc2c(c1)CCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| 56672569 | 66065 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 347 | 4 | 0 | 5 | 3.7 | Cc1ccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837021 | 66065 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 347 | 4 | 0 | 5 | 3.7 | Cc1ccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 44352783 | 116845 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -4 | 2 | 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 | 116845 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -4 | 2 | 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 | 5384 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | 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 | 5384 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | 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 | 4004 | None | 22 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -57 | 4 | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | |||
| 5311500 | 4004 | None | 22 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -57 | 4 | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | |||
| CHEMBL363910 | 4004 | None | 22 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -57 | 4 | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | |||
| 11740204 | 66066 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 375 | 7 | 0 | 5 | 4.4 | CCCCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837022 | 66066 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 375 | 7 | 0 | 5 | 4.4 | CCCCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 21925639 | 66075 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 381 | 2 | 0 | 6 | 3.7 | Clc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837031 | 66075 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 381 | 2 | 0 | 6 | 3.7 | Clc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | |||
| 162647212 | 179807 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 391 | 1 | 1 | 4 | 3.6 | O=C(N1CCN(c2ncccc2Cl)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4743785 | 179807 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 391 | 1 | 1 | 4 | 3.6 | O=C(N1CCN(c2ncccc2Cl)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | |||
| 135192932 | 171631 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -190 | 4 | 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 | 171631 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -190 | 4 | 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 | 116685 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -91 | 2 | 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 | 116685 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -91 | 2 | 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 | 66071 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 400 | 6 | 0 | 8 | 2.7 | c1ccc(Cn2c(Cn3nccn3)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837027 | 66071 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 400 | 6 | 0 | 8 | 2.7 | c1ccc(Cn2c(Cn3nccn3)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 162646888 | 179665 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | 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 | 179665 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | 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 | 174081 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -35 | 2 | 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 | 174081 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -35 | 2 | 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 | 163810 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | -2 | 3 | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | |||
| CHEMBL4205046 | 163810 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | -2 | 3 | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | |||
| 44444761 | 94218 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | 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 | 94218 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | 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 | 174090 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -8 | 2 | 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 | 174090 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -8 | 2 | 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 | 66057 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 333 | 3 | 0 | 5 | 3.7 | Cc1ccccc1-n1c(C)nnc1C1CCN(c2ccccn2)CC1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837013 | 66057 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 333 | 3 | 0 | 5 | 3.7 | Cc1ccccc1-n1c(C)nnc1C1CCN(c2ccccn2)CC1 | 10.1016/j.bmcl.2011.08.038 | |||
| 59657596 | 118730 | None | 34 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | 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 | 118730 | None | 34 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | 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 | 118730 | None | 34 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/acs.jmedchem.1c00863 | |||
| CHEMBL3416885 | 118730 | None | 34 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/acs.jmedchem.1c00863 | |||
| 162655215 | 180915 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | 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 | 180915 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | 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 | 180873 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | 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 | 180873 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | 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 | 181913 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | 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 | 181913 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | 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 | 181112 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 369 | 2 | 0 | 5 | 3.5 | C#Cc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4759005 | 181112 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 369 | 2 | 0 | 5 | 3.5 | C#Cc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| 10411308 | 203691 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | -2 | 3 | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | |||
| CHEMBL603708 | 203691 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | -2 | 3 | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | |||
| 17989455 | 65639 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 361 | 2 | 0 | 6 | 3.4 | Cc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1834004 | 65639 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 361 | 2 | 0 | 6 | 3.4 | Cc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | |||
| 22017591 | 66067 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 377 | 7 | 0 | 6 | 3.6 | CCOCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837023 | 66067 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 377 | 7 | 0 | 6 | 3.6 | CCOCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 162664826 | 182204 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | 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 | 182204 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | 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 | 154893 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | 2 | 2 | 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 | 154893 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | 2 | 2 | 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 | 179612 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | 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 | 179612 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | 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 | 57240 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 311 | 3 | 0 | 3 | 4.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1649949 | 57240 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 311 | 3 | 0 | 3 | 4.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 162658540 | 181209 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 369 | 1 | 0 | 2 | 4.3 | Cc1ccccc1N1CCN(C(=O)N2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4760164 | 181209 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 369 | 1 | 0 | 2 | 4.3 | Cc1ccccc1N1CCN(C(=O)N2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| 44352804 | 18966 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -24 | 2 | 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 | 18966 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -24 | 2 | 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 | 180080 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | 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 | 180080 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | 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 | 118518 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -58 | 2 | 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 | 118518 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -58 | 2 | 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 | 180888 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | 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 | 180888 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | 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 | 2326 | None | 17 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -61 | 4 | 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 | 2326 | None | 17 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -61 | 4 | 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 | 2326 | None | 17 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -61 | 4 | 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 | 2326 | None | 17 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -61 | 4 | 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 | 107287 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | 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 | 107287 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | 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 | 66059 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 344 | 3 | 0 | 6 | 3.2 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(C#N)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837015 | 66059 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 344 | 3 | 0 | 6 | 3.2 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(C#N)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 22017582 | 66070 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 407 | 8 | 1 | 7 | 2.7 | O=C(O)COCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837026 | 66070 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 407 | 8 | 1 | 7 | 2.7 | O=C(O)COCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 22017577 | 66068 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 418 | 6 | 0 | 7 | 2.9 | c1ccc(Cn2c(CN3CCOCC3)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837024 | 66068 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 418 | 6 | 0 | 7 | 2.9 | c1ccc(Cn2c(CN3CCOCC3)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 162670181 | 182859 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | 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 | 182859 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | 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 | 182545 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 348 | 2 | 0 | 5 | 4.5 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4786172 | 182545 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 348 | 2 | 0 | 5 | 4.5 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | |||
| 162676230 | 183431 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 373 | 3 | 0 | 5 | 4.1 | CCc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4797387 | 183431 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 373 | 3 | 0 | 5 | 4.1 | CCc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| 162657843 | 181251 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 370 | 2 | 0 | 4 | 3.4 | CN1CCN(C(=O)C2CCN(c3ccccn3)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4760698 | 181251 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 370 | 2 | 0 | 4 | 3.4 | CN1CCN(C(=O)C2CCN(c3ccccn3)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | |||
| 162652318 | 180428 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 356 | 2 | 1 | 4 | 3.4 | O=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4751140 | 180428 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 356 | 2 | 1 | 4 | 3.4 | O=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127417 | |||
| 25133000 | 94247 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -2 | 2 | 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 | 94247 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -2 | 2 | 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 | 66080 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 360 | 2 | 0 | 6 | 3.0 | CN1Cc2ccccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837036 | 66080 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 360 | 2 | 0 | 6 | 3.0 | CN1Cc2ccccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | |||
| 162648022 | 180080 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | 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 | 180080 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | 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 | 182479 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 383 | 0 | 1 | 3 | 4.2 | O=C(N1CCC2(CC1)OCc1ccccc12)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4785083 | 182479 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 383 | 0 | 1 | 3 | 4.2 | O=C(N1CCC2(CC1)OCc1ccccc12)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | |||
| 162661801 | 181561 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 336 | 1 | 1 | 3 | 3.2 | Cc1ccccc1N1CCN(C(=O)N2CCNc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4764410 | 181561 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 336 | 1 | 1 | 3 | 3.2 | Cc1ccccc1N1CCN(C(=O)N2CCNc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| 135192983 | 176222 | None | 16 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -190 | 4 | 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 | 176222 | None | 16 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -190 | 4 | 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 | 66064 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 367 | 4 | 0 | 5 | 4.1 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837020 | 66064 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 367 | 4 | 0 | 5 | 4.1 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2011.08.038 | |||
| 23598600 | 5369 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 1 | 2 | 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 | 5369 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 1 | 2 | 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 | 109264 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 1 | 2 | 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 | 109264 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 1 | 2 | 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 | 66072 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 434 | 6 | 0 | 8 | 3.4 | Clc1cccc(Cn2c(Cn3nccn3)nnc2C2CCN(c3ccccn3)CC2)c1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837028 | 66072 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 434 | 6 | 0 | 8 | 3.4 | Clc1cccc(Cn2c(Cn3nccn3)nnc2C2CCN(c3ccccn3)CC2)c1 | 10.1016/j.bmcl.2011.08.038 | |||
| 10615 | 572 | None | 35 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | 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 | 572 | None | 35 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | 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 | 572 | None | 35 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | 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 | 572 | None | 35 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | 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 | 1164 | None | 41 | Human | Functional | pIC50 | = | 8.5 | 8.5 | 3 | 2 | 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 | |||
| 151171.0 | 1164 | None | 41 | Human | Functional | pIC50 | = | 8.5 | 8.5 | 3 | 2 | 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 | 1164 | None | 41 | Human | Functional | pIC50 | = | 8.5 | 8.5 | 3 | 2 | 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 | 1164 | None | 41 | Human | Functional | pIC50 | = | 8.5 | 8.5 | 3 | 2 | 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 | 1164 | None | 41 | Human | Functional | pIC50 | = | 8.5 | 8.5 | 3 | 2 | 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 | 1164 | None | 41 | Human | Functional | pIC50 | = | 8.5 | 8.5 | 3 | 2 | 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 | 1164 | None | 41 | Human | Functional | pIC50 | = | 8.5 | 8.5 | 3 | 2 | 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 | 572 | None | 35 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | 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 | 572 | None | 35 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | 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 | 572 | None | 35 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | 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 | 572 | None | 35 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | 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 | 572 | None | 35 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | 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 | 572 | None | 35 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | 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 | 572 | None | 35 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | 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 | 572 | None | 35 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | 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 | 66082 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | 9 | 2 | 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 | 66082 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | 9 | 2 | 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 | 181975 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 379 | 2 | 0 | 5 | 4.2 | Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4778839 | 181975 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 379 | 2 | 0 | 5 | 4.2 | Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| 121301508 | 176323 | None | 5 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -2 | 4 | ChEMBL | 542 | 7 | 2 | 9 | 3.6 | C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1 | 10.6019/CHEMBL5463729 | |||
| CHEMBL4594444 | 176323 | None | 5 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -2 | 4 | ChEMBL | 542 | 7 | 2 | 9 | 3.6 | C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1 | 10.6019/CHEMBL5463729 | |||
| 162672471 | 183147 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 384 | 1 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCN(C)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4794001 | 183147 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 384 | 1 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCN(C)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| 11237434 | 66081 | None | 13 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 102 | 2 | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | |||
| CHEMBL1837037 | 66081 | None | 13 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 102 | 2 | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | |||
| 25132999 | 154993 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | 3 | 2 | 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 | 154993 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | 3 | 2 | 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 | 66055 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 319 | 3 | 0 | 5 | 3.4 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccccc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837011 | 66055 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 319 | 3 | 0 | 5 | 3.4 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccccc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 21925546 | 66073 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 347 | 2 | 0 | 6 | 3.1 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3COC4)CC2)nc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837029 | 66073 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 347 | 2 | 0 | 6 | 3.1 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3COC4)CC2)nc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 162647523 | 179883 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | 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 | 179883 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | 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 | 180600 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | 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 | 180600 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | 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 | 181057 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | 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 | 181057 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | 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 | 161575 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 8 | 4 | 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 | 161575 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 8 | 4 | 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 | 61931 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | 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 | 61931 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | 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 | 94248 | None | 8 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 2 | 4 | 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 | 94248 | None | 8 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 2 | 4 | 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 | 181784 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 369 | 1 | 1 | 2 | 4.9 | Cc1ccccc1C1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4776471 | 181784 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 369 | 1 | 1 | 2 | 4.9 | Cc1ccccc1C1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| 11432362 | 94190 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 1 | 2 | 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 | 94190 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 1 | 2 | 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 | 175008 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -125 | 4 | 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 | 175008 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -125 | 4 | 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 | 180311 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 383 | 1 | 0 | 2 | 4.7 | Cc1ccccc1N1CCN(C(=O)N2CCCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4749660 | 180311 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 383 | 1 | 0 | 2 | 4.7 | Cc1ccccc1N1CCN(C(=O)N2CCCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL5085869 | 217485 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | None | None | None | Cc1ccc2c(c1)-n1c(nnc1[C@H]1CC[C@H](Oc3ccccn3)CC1)CC(O)C2 | 10.1021/acs.jmedchem.1c00863 | |||||
| 10461417 | 107357 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 7 | 2 | 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 | 107357 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 7 | 2 | 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 | 107473 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 6 | 2 | 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 | 107473 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 6 | 2 | 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 | 66085 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | 204 | 2 | 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 | 66085 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | 204 | 2 | 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 | 180080 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | 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 | 180080 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | 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 | 181097 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 370 | 1 | 1 | 3 | 3.5 | Cc1ccccc1N1CCN(C(=O)N2CNCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4758799 | 181097 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 370 | 1 | 1 | 3 | 3.5 | Cc1ccccc1N1CCN(C(=O)N2CNCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| 162671049 | 182926 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | 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 | 182926 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | 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 | 6729 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 20 | 2 | 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 | 6729 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 20 | 2 | 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 | 161671 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -128 | 4 | 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 | 161671 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -128 | 4 | 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 | 66078 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 346 | 2 | 1 | 6 | 2.7 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3CNC4)CC2)nc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837034 | 66078 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 346 | 2 | 1 | 6 | 2.7 | c1ccc(N2CCC(c3nnc4n3-c3ccccc3CNC4)CC2)nc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 14306032 | 151596 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | 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 | 151596 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | 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 | 154819 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 1 | 2 | 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 | 154819 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 1 | 2 | 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 | 63057 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -1 | 4 | 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 | 63057 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -1 | 4 | 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 | 183331 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 371 | 1 | 1 | 4 | 3.2 | Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4796133 | 183331 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 371 | 1 | 1 | 4 | 3.2 | Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| 44352768 | 115320 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -47 | 2 | 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 | 115320 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -47 | 2 | 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 | 138020 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | 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 | 138020 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | 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 | 138020 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | 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 | 138020 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | 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 | 175719 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -5 | 2 | 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 | 175719 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -5 | 2 | 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 | 3843 | None | 51 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -66 | 11 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | |||
| 216237.0 | 3843 | None | 51 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -66 | 11 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | |||
| 2226 | 3843 | None | 51 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -66 | 11 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | |||
| 4110 | 3843 | None | 51 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -66 | 11 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | |||
| 443894 | 3843 | None | 51 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -66 | 11 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | |||
| 443894.0 | 3843 | None | 51 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -66 | 11 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | |||
| CHEMBL344159 | 3843 | None | 51 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -66 | 11 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | |||
| DB06212 | 3843 | None | 51 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -66 | 11 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | |||
| 23598598 | 4969 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -1 | 2 | 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 | 4969 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -1 | 2 | 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 | 164260 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | 7 | 2 | 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 | 164260 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | 7 | 2 | 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 | 163677 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 15 | 2 | 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 | 163677 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 15 | 2 | 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 | 182259 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | 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 | 182259 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | 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 | 169011 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 5 | 2 | 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 | 169011 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 5 | 2 | 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 | 182855 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | 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 | 182855 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | 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 | 66076 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 381 | 2 | 0 | 6 | 3.7 | Clc1ccc2c(c1)-n1c(nnc1C1CCN(c3ccccn3)CC1)COC2 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837032 | 66076 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 381 | 2 | 0 | 6 | 3.7 | Clc1ccc2c(c1)-n1c(nnc1C1CCN(c3ccccn3)CC1)COC2 | 10.1016/j.bmcl.2011.08.038 | |||
| 54584254 | 61930 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | 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 | 61930 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | 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 | 183526 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 405 | 1 | 0 | 4 | 3.6 | CN1CCN(C(=O)N2CCN(c3ncccc3Cl)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4798542 | 183526 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 405 | 1 | 0 | 4 | 3.6 | CN1CCN(C(=O)N2CCN(c3ncccc3Cl)CC2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2020.127416 | |||
| 56672568 | 66060 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | 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 | 66060 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | 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 | 2326 | None | 17 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -61 | 4 | 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 | 2326 | None | 17 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -61 | 4 | 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 | 2326 | None | 17 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -61 | 4 | 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 | 2326 | None | 17 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -61 | 4 | 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 | 66081 | None | 13 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 102 | 2 | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837037 | 66081 | None | 13 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 102 | 2 | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | |||
| 56679250 | 66069 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 431 | 6 | 0 | 7 | 2.9 | CN1CCN(Cc2nnc(C3CCN(c4ccccn4)CC3)n2Cc2ccccc2)CC1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837025 | 66069 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 431 | 6 | 0 | 7 | 2.9 | CN1CCN(Cc2nnc(C3CCN(c4ccccn4)CC3)n2Cc2ccccc2)CC1 | 10.1016/j.bmcl.2011.08.038 | |||
| 135506374 | 137987 | None | 19 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -1 | 4 | 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 | 137987 | None | 19 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -1 | 4 | 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 | 137987 | None | 19 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -1 | 4 | 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 | 137987 | None | 19 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -1 | 4 | 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 | 94582 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -1 | 2 | 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 | 94582 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -1 | 2 | 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 | 154894 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | 2 | 2 | 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 | 154894 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | 2 | 2 | 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 | 179798 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | 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 | 179798 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | 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 | 94248 | None | 8 | Rat | Functional | pIC50 | = | 6.2 | 6.2 | -46 | 4 | 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 | 94248 | None | 8 | Rat | Functional | pIC50 | = | 6.2 | 6.2 | -46 | 4 | 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 | 111022 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | 2 | 2 | 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 | 111022 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | 2 | 2 | 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 | 179711 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 357 | 1 | 1 | 4 | 2.9 | O=C(N1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4742334 | 179711 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 357 | 1 | 1 | 4 | 2.9 | O=C(N1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | |||
| 135506374 | 137987 | None | 19 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -1 | 4 | 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 | 137987 | None | 19 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -1 | 4 | 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 | 182253 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | 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 | 182253 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | 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 | 66058 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 333 | 3 | 0 | 5 | 3.7 | Cc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837014 | 66058 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 333 | 3 | 0 | 5 | 3.7 | Cc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 23598598 | 4969 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -1 | 2 | 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 | 4969 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -1 | 2 | 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 | 117075 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -44 | 2 | 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 | 117075 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -44 | 2 | 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 | 179700 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 385 | 1 | 1 | 4 | 3.6 | Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)[C@H](C)C1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4742173 | 179700 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 385 | 1 | 1 | 4 | 3.6 | Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)[C@H](C)C1 | 10.1016/j.bmcl.2020.127416 | |||
| 135192979 | 175942 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -41 | 4 | 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 | 175942 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -41 | 4 | 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 | 138165 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | 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 | 138165 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | 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 | 175488 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -3 | 3 | 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 | 175488 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -3 | 3 | 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 | 63058 | None | 1 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 25 | 4 | 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 | 63058 | None | 1 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 25 | 4 | 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 | 163447 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 1 | 2 | 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 | 163447 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 1 | 2 | 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 | 154709 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | 1 | 2 | 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 | 154709 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | 1 | 2 | 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 | 161655 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -72 | 4 | 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 | 161655 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -72 | 4 | 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 | 122996 | None | 20 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 3 | 3 | 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 | 122996 | None | 20 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 3 | 3 | 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 | 182633 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 370 | 1 | 1 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4787242 | 182633 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 370 | 1 | 1 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| 31112441 | 180444 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | 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 | 180444 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | 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 | 169745 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -6 | 2 | 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 | 169745 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -6 | 2 | 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 | 173934 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -18 | 4 | 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 | 173934 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -18 | 4 | 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 | 138141 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | 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 | 138141 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | 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 | 66063 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 347 | 4 | 0 | 5 | 3.7 | Cc1cccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)c1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837019 | 66063 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 347 | 4 | 0 | 5 | 3.7 | Cc1cccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)c1 | 10.1016/j.bmcl.2011.08.038 | |||
| 162675154 | 183530 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 370 | 2 | 1 | 3 | 3.5 | O=C(N1CCN(Cc2ccccc2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4798616 | 183530 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 370 | 2 | 1 | 3 | 3.5 | O=C(N1CCN(Cc2ccccc2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127416 | |||
| 162658968 | 181388 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 384 | 1 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CN(C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4762200 | 181388 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 384 | 1 | 0 | 3 | 3.8 | Cc1ccccc1N1CCN(C(=O)N2CN(C)Cc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| 162676890 | 183596 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 355 | 1 | 0 | 2 | 4.0 | Cc1ccccc1N1CCN(C(=O)N2CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| CHEMBL4799501 | 183596 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 355 | 1 | 0 | 2 | 4.0 | Cc1ccccc1N1CCN(C(=O)N2CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2020.127416 | |||
| 11261339 | 154710 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 2 | 2 | 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 | 154710 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 2 | 2 | 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 | 66061 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 353 | 3 | 0 | 5 | 4.0 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837017 | 66061 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 353 | 3 | 0 | 5 | 4.0 | Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.08.038 | |||
| 145974527 | 164855 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 67 | 2 | 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 | 164855 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 67 | 2 | 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 | 94330 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 6 | 2 | 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 | 94330 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 6 | 2 | 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 | 66077 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 381 | 2 | 0 | 6 | 3.7 | Clc1cccc2c1COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | |||
| CHEMBL1837033 | 66077 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 381 | 2 | 0 | 6 | 3.7 | Clc1cccc2c1COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2011.08.038 | |||
| 145972114 | 164722 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | 3 | 2 | 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 | 164722 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | 3 | 2 | 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 | 94551 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | 7 | 2 | 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 | 94551 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | 7 | 2 | 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 | 168234 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | 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 | 168234 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | 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 | 8126 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | - | 1 | 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 | 8126 | None | 0 | Human | Functional | pIC50 | = | 7 | 7.0 | - | 1 | 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 | 195878 | None | 0 | Rat | Functional | pKd | = | 5.8 | 5.8 | - | 0 | 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 | 195878 | None | 0 | Rat | Functional | pKd | = | 5.8 | 5.8 | - | 0 | 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 | 198346 | None | 0 | Rat | Functional | pKd | = | 7.4 | 7.4 | - | 0 | 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 | 198346 | None | 0 | Rat | Functional | pKd | = | 7.4 | 7.4 | - | 0 | 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 | 197973 | None | 0 | Rat | Functional | pKd | = | 8.4 | 8.4 | - | 0 | 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 | 197973 | None | 0 | Rat | Functional | pKd | = | 8.4 | 8.4 | - | 0 | 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 | 194918 | None | 0 | Rat | Functional | pKd | = | 6.2 | 6.2 | - | 0 | 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 | 194918 | None | 0 | Rat | Functional | pKd | = | 6.2 | 6.2 | - | 0 | 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 | 204686 | None | 0 | Human | Functional | pKi | = | 6 | 6.0 | - | 0 | 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 | 204686 | None | 0 | Human | Functional | pKi | = | 6 | 6.0 | - | 0 | 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 | 56782 | None | 0 | Human | Functional | pKi | = | 6 | 6.0 | - | 0 | 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 | 56782 | None | 0 | Human | Functional | pKi | = | 6 | 6.0 | - | 0 | 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 | 180022 | None | 0 | Human | Functional | pKi | = | 5 | 5.0 | - | 0 | 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 | 180022 | None | 0 | Human | Functional | pKi | = | 5 | 5.0 | - | 0 | 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 | 7840 | None | 0 | Human | Functional | pKi | = | 6.0 | 6.0 | - | 0 | ChEMBL | 334 | 4 | 0 | 5 | 3.1 | COc1ccc(N(C)C(=O)c2cnc(-c3ccccc3C)cn2)cn1 | 10.1016/j.bmcl.2010.02.018 | |||
| CHEMBL1089682 | 7840 | None | 0 | Human | Functional | pKi | = | 6.0 | 6.0 | - | 0 | ChEMBL | 334 | 4 | 0 | 5 | 3.1 | COc1ccc(N(C)C(=O)c2cnc(-c3ccccc3C)cn2)cn1 | 10.1016/j.bmcl.2010.02.018 | |||
| 11538526 | 202029 | None | 0 | Human | Functional | pKi | = | 7.0 | 7.0 | - | 0 | ChEMBL | 397 | 5 | 0 | 7 | 3.5 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccc(F)cc3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| CHEMBL592494 | 202029 | None | 0 | Human | Functional | pKi | = | 7.0 | 7.0 | - | 0 | ChEMBL | 397 | 5 | 0 | 7 | 3.5 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccc(F)cc3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| 11683187 | 202388 | None | 41 | Human | Functional | pKi | = | 6.0 | 6.0 | - | 2 | 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 | 202388 | None | 41 | Human | Functional | pKi | = | 6.0 | 6.0 | - | 2 | 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 | 184170 | None | 0 | Human | Functional | pKi | = | 7.9 | 7.9 | - | 0 | ChEMBL | 401 | 7 | 0 | 3 | 5.2 | COc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | |||
| CHEMBL482321 | 184170 | None | 0 | Human | Functional | pKi | = | 7.9 | 7.9 | - | 0 | ChEMBL | 401 | 7 | 0 | 3 | 5.2 | COc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | |||
| 46884479 | 8263 | None | 0 | Human | Functional | pKi | = | 4.9 | 4.9 | - | 0 | 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 | 8263 | None | 0 | Human | Functional | pKi | = | 4.9 | 4.9 | - | 0 | 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 | 189299 | None | 0 | Human | Functional | pKi | = | 5.9 | 5.9 | - | 0 | 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 | 189299 | None | 0 | Human | Functional | pKi | = | 5.9 | 5.9 | - | 0 | 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 | 201999 | None | 1 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 365 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| CHEMBL592250 | 201999 | None | 1 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 365 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| 46881861 | 8274 | None | 0 | Human | Functional | pKi | = | 5.9 | 5.9 | - | 0 | 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 | 8274 | None | 0 | Human | Functional | pKi | = | 5.9 | 5.9 | - | 0 | 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 | 178688 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | 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 | 178688 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | 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 | 201749 | None | 0 | Human | Functional | pKi | = | 5.9 | 5.9 | - | 0 | ChEMBL | 401 | 7 | 0 | 8 | 2.7 | COCc1nnc(N2CC(Oc3ccccc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | |||
| CHEMBL590349 | 201749 | None | 0 | Human | Functional | pKi | = | 5.9 | 5.9 | - | 0 | ChEMBL | 401 | 7 | 0 | 8 | 2.7 | COCc1nnc(N2CC(Oc3ccccc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | |||
| 44581242 | 175991 | None | 0 | Human | Functional | pKi | = | 7.8 | 7.8 | - | 0 | 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 | 175991 | None | 0 | Human | Functional | pKi | = | 7.8 | 7.8 | - | 0 | 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 | 183928 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 396 | 6 | 0 | 3 | 5.0 | N#Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | |||
| CHEMBL480584 | 183928 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 396 | 6 | 0 | 3 | 5.0 | N#Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | |||
| 44571490 | 184052 | None | 0 | Human | Functional | pKi | = | 5.8 | 5.8 | - | 0 | 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 | 184052 | None | 0 | Human | Functional | pKi | = | 5.8 | 5.8 | - | 0 | 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 | 203509 | None | 0 | Human | Functional | pKi | = | 5.8 | 5.8 | - | 0 | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)ccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| CHEMBL602641 | 203509 | None | 0 | Human | Functional | pKi | = | 5.8 | 5.8 | - | 0 | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)ccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| 11486351 | 193086 | None | 0 | Human | Functional | pKi | = | 5.8 | 5.8 | - | 0 | ChEMBL | 398 | 10 | 0 | 8 | 3.2 | CCOc1ccc(-c2nnc(COCCOC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | |||
| CHEMBL522255 | 193086 | None | 0 | Human | Functional | pKi | = | 5.8 | 5.8 | - | 0 | ChEMBL | 398 | 10 | 0 | 8 | 3.2 | CCOc1ccc(-c2nnc(COCCOC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | |||
| 46225048 | 204270 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | 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 | 204270 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | 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 | 203601 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | ChEMBL | 351 | 5 | 0 | 7 | 2.6 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| CHEMBL603205 | 203601 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | ChEMBL | 351 | 5 | 0 | 7 | 2.6 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| 46225116 | 201709 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | ChEMBL | 371 | 5 | 0 | 7 | 2.9 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3Cl)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| CHEMBL590099 | 201709 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | ChEMBL | 371 | 5 | 0 | 7 | 2.9 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3Cl)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| 44572048 | 189623 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(-c2ccccc2)ccc1C(=O)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | |||
| CHEMBL514031 | 189623 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(-c2ccccc2)ccc1C(=O)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | |||
| 53317994 | 56783 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | 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 | 56783 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | 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 | 56785 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | 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 | 56785 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | 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 | 184172 | None | 0 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | 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 | 184172 | None | 0 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | 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 | 8406 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | 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 | 8406 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | 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 | 178743 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 378 | 4 | 0 | 7 | 3.8 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccccc3Cl)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | |||
| CHEMBL467545 | 178743 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 378 | 4 | 0 | 7 | 3.8 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccccc3Cl)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | |||
| 11625088 | 202028 | None | 0 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 379 | 5 | 0 | 7 | 3.3 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| CHEMBL592493 | 202028 | None | 0 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 379 | 5 | 0 | 7 | 3.3 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| 44579442 | 186934 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 391 | 7 | 0 | 9 | 2.7 | CCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | |||
| CHEMBL489387 | 186934 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 391 | 7 | 0 | 9 | 2.7 | CCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | |||
| 46884437 | 7741 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 348 | 5 | 0 | 5 | 3.5 | CCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | |||
| CHEMBL1089025 | 7741 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 348 | 5 | 0 | 5 | 3.5 | CCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | |||
| 16062053 | 195098 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 360 | 5 | 0 | 8 | 3.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | |||
| CHEMBL539665 | 195098 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 360 | 5 | 0 | 8 | 3.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | |||
| 11502419 | 202030 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 409 | 7 | 0 | 8 | 3.2 | COCc1nnc(N2CCC(Oc3ccccc3C)CC2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | |||
| CHEMBL592495 | 202030 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 409 | 7 | 0 | 8 | 3.2 | COCc1nnc(N2CCC(Oc3ccccc3C)CC2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | |||
| 11574636 | 201566 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 389 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | |||
| CHEMBL589125 | 201566 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 389 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | |||
| 44577984 | 189384 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | 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 | 189384 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | 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 | 201566 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 389 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| CHEMBL589125 | 201566 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 389 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| 44581241 | 175990 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | 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 | 175990 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | 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 | 184053 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | 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 | 184053 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | 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 | 56781 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | 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 | 56781 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | 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 | 201708 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | 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 | 201708 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | 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 | 178687 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 402 | 7 | 0 | 7 | 4.2 | COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | |||
| CHEMBL467185 | 178687 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 402 | 7 | 0 | 7 | 4.2 | COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | |||
| 44215484 | 178685 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 440 | 7 | 0 | 6 | 4.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCN1CCOCC1 | 10.1016/j.bmcl.2008.06.098 | |||
| CHEMBL467154 | 178685 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 440 | 7 | 0 | 6 | 4.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCN1CCOCC1 | 10.1016/j.bmcl.2008.06.098 | |||
| 44579441 | 186933 | None | 0 | Human | Functional | pKi | = | 5.5 | 5.5 | - | 0 | ChEMBL | 374 | 7 | 0 | 7 | 3.5 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1Cl | 10.1016/j.bmcl.2008.08.066 | |||
| CHEMBL489386 | 186933 | None | 0 | Human | Functional | pKi | = | 5.5 | 5.5 | - | 0 | ChEMBL | 374 | 7 | 0 | 7 | 3.5 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1Cl | 10.1016/j.bmcl.2008.08.066 | |||
| 44572107 | 180036 | None | 0 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 385 | 6 | 0 | 2 | 5.5 | Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | |||
| CHEMBL474621 | 180036 | None | 0 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 385 | 6 | 0 | 2 | 5.5 | Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | |||
| 44571429 | 183921 | None | 0 | Human | Functional | pKi | = | 8.4 | 8.4 | - | 0 | 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 | 183921 | None | 0 | Human | Functional | pKi | = | 8.4 | 8.4 | - | 0 | 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 | 56786 | None | 0 | Human | Functional | pKi | = | 5.5 | 5.5 | - | 0 | 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 | 56786 | None | 0 | Human | Functional | pKi | = | 5.5 | 5.5 | - | 0 | 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 | 189400 | None | 0 | Human | Functional | pKi | = | 5.5 | 5.5 | - | 0 | ChEMBL | 369 | 5 | 0 | 8 | 2.8 | COCc1nnc(-c2cnc(-c3cccc(C#N)c3)cn2)n1-c1cccnc1 | 10.1016/j.bmcl.2008.06.098 | |||
| CHEMBL512105 | 189400 | None | 0 | Human | Functional | pKi | = | 5.5 | 5.5 | - | 0 | ChEMBL | 369 | 5 | 0 | 8 | 2.8 | COCc1nnc(-c2cnc(-c3cccc(C#N)c3)cn2)n1-c1cccnc1 | 10.1016/j.bmcl.2008.06.098 | |||
| 46884439 | 8405 | None | 0 | Human | Functional | pKi | = | 5.5 | 5.5 | - | 0 | ChEMBL | 378 | 7 | 0 | 6 | 3.1 | COCCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | |||
| CHEMBL1093365 | 8405 | None | 0 | Human | Functional | pKi | = | 5.5 | 5.5 | - | 0 | ChEMBL | 378 | 7 | 0 | 6 | 3.1 | COCCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | |||
| 44579401 | 187203 | None | 0 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | ChEMBL | 354 | 7 | 0 | 7 | 3.2 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | |||
| CHEMBL491422 | 187203 | None | 0 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | ChEMBL | 354 | 7 | 0 | 7 | 3.2 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | |||
| 11257380 | 178719 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | 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 | 178719 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | 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 | 178719 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | 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 | 178719 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | 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 | 178719 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | 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 | 178719 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | 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 | 172550 | None | 0 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | ChEMBL | 336 | 6 | 0 | 3 | 3.8 | O=C(c1ccc(-c2ccccc2)nc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | |||
| CHEMBL447916 | 172550 | None | 0 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | ChEMBL | 336 | 6 | 0 | 3 | 3.8 | O=C(c1ccc(-c2ccccc2)nc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | |||
| 44572047 | 180813 | None | 0 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | ChEMBL | 360 | 6 | 0 | 3 | 4.3 | N#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | |||
| CHEMBL475561 | 180813 | None | 0 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | ChEMBL | 360 | 6 | 0 | 3 | 4.3 | N#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | |||
| 44571529 | 189809 | None | 0 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | 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 | 189809 | None | 0 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | 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 | 56788 | None | 0 | Human | Functional | pKi | = | 4.4 | 4.4 | - | 0 | 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 | 56788 | None | 0 | Human | Functional | pKi | = | 4.4 | 4.4 | - | 0 | 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 | 178899 | None | 0 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | 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 | 178899 | None | 0 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | 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 | 189288 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | 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 | 189288 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | 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 | 189415 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 0 | ChEMBL | 374 | 6 | 0 | 8 | 2.9 | COCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | |||
| CHEMBL512257 | 189415 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 0 | ChEMBL | 374 | 6 | 0 | 8 | 2.9 | COCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | |||
| 44581266 | 175499 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | 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 | 175499 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | 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 | 189833 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | 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 | 189833 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | 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 | 192698 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 385 | 6 | 0 | 2 | 5.5 | Cc1cc(-c2ccccc2)ccc1C(=O)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | |||
| CHEMBL521444 | 192698 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 385 | 6 | 0 | 2 | 5.5 | Cc1cc(-c2ccccc2)ccc1C(=O)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | |||
| 44571489 | 192393 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 372 | 6 | 0 | 3 | 4.6 | O=C(c1ccc(-c2ccccc2)nc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | |||
| CHEMBL520595 | 192393 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 372 | 6 | 0 | 3 | 4.6 | O=C(c1ccc(-c2ccccc2)nc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | |||
| 46225082 | 202071 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | 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 | 202071 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | 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 | 195098 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 360 | 5 | 0 | 8 | 3.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | |||
| CHEMBL539665 | 195098 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 360 | 5 | 0 | 8 | 3.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | |||
| 44577936 | 178686 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 371 | 5 | 0 | 5 | 4.9 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1 | 10.1016/j.bmcl.2008.06.098 | |||
| CHEMBL467184 | 178686 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 371 | 5 | 0 | 5 | 4.9 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1 | 10.1016/j.bmcl.2008.06.098 | |||
| 45483204 | 200343 | None | 0 | Human | Functional | pKi | = | 5.3 | 5.3 | - | 0 | 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 | 200343 | None | 0 | Human | Functional | pKi | = | 5.3 | 5.3 | - | 0 | 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 | 200343 | None | 0 | Human | Functional | pKi | = | 5.3 | 5.3 | - | 0 | 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 | 200343 | None | 0 | Human | Functional | pKi | = | 5.3 | 5.3 | - | 0 | 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 | 2761 | None | 30 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 1 | 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 | 2761 | None | 30 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 1 | 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 | 2761 | None | 30 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 1 | 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 | 2761 | None | 30 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 1 | 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 | 202070 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | 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 | 202070 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | 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 | 8264 | None | 0 | Human | Functional | pKi | = | 5.2 | 5.2 | - | 0 | 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 | 8264 | None | 0 | Human | Functional | pKi | = | 5.2 | 5.2 | - | 0 | 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 | 187268 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | 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 | 187268 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | 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 | 202343 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| CHEMBL594591 | 202343 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| 11667812 | 202343 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | |||
| CHEMBL594591 | 202343 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | |||
| 53325929 | 56787 | None | 0 | Human | Functional | pKi | = | 5.2 | 5.2 | - | 0 | 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 | 56787 | None | 0 | Human | Functional | pKi | = | 5.2 | 5.2 | - | 0 | 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 | 201567 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | 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 | 201567 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | 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 | 8492 | None | 0 | Human | Functional | pKi | = | 5.1 | 5.1 | - | 0 | 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 | 8492 | None | 0 | Human | Functional | pKi | = | 5.1 | 5.1 | - | 0 | 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 | 178635 | None | 1 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | 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 | 178635 | None | 1 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | 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 | 202069 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 365 | 5 | 0 | 7 | 2.9 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| CHEMBL592731 | 202069 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 365 | 5 | 0 | 7 | 2.9 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | |||
| 46881862 | 7940 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | 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 | 7940 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | 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 | 180665 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | |||
| CHEMBL475395 | 180665 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | |||
| 44571389 | 184171 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | 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 | 184171 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | 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 | 189760 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 365 | 7 | 0 | 3 | 4.4 | COc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | |||
| CHEMBL515111 | 189760 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 365 | 7 | 0 | 3 | 4.4 | COc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | |||
| 44571492 | 184074 | None | 0 | Human | Functional | pKi | = | 5.1 | 5.1 | - | 0 | 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 | 184074 | None | 0 | Human | Functional | pKi | = | 5.1 | 5.1 | - | 0 | 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 | 56784 | None | 0 | Human | Functional | pKi | = | 5.1 | 5.1 | - | 0 | 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 | 56784 | None | 0 | Human | Functional | pKi | = | 5.1 | 5.1 | - | 0 | 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 | 201892 | None | 0 | Human | Functional | pKi | = | 6.0 | 6.0 | - | 0 | 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 | 201892 | None | 0 | Human | Functional | pKi | = | 6.0 | 6.0 | - | 0 | 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 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 5 | Drug Central | None | None | None | None | None | |||||
| 2174 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 5 | Drug Central | None | None | None | None | None | |||||
| 2176 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 5 | Drug Central | None | None | None | None | None | |||||
| 439302 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 5 | Drug Central | None | None | None | None | None | |||||
| 439302.0 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 5 | Drug Central | None | None | None | None | None | |||||
| CHEMBL395429 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 5 | Drug Central | None | None | None | None | None | |||||
| DB00107 | 2983 | None | 40 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 5 | Drug Central | None | None | None | None | None | |||||
| 11169 | 797 | None | 33 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | 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 | 797 | None | 33 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | 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 | |||||
| 165708555 | 797 | None | 33 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | 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 | |||||
| 165708555.0 | 797 | None | 33 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | 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 | 797 | None | 33 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | 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 | |||||
| 16681432.0 | 797 | None | 33 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | 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 | 797 | None | 33 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | 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 | 797 | None | 33 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | 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 | 797 | None | 33 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 5 | 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 | 3577 | None | 12 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | Guide to Pharmacology | None | None | None | None | 21411496 | |||||
| 53330936 | 3577 | None | 12 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | Guide to Pharmacology | None | None | None | None | 21411496 | |||||
| CHEMBL1817709 | 3577 | None | 12 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | Guide to Pharmacology | None | None | None | None | 21411496 | |||||
| DB12495 | 3577 | None | 12 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -4 | 5 | Guide to Pharmacology | None | None | None | None | 21411496 | |||||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
| 16362 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | 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 | |||
| 16362.0 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | 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 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | 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 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | 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 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | 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 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | 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 | 12618 | None | 11 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1187011 | 12618 | None | 11 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 448537 | 160344 | None | 54 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -45 | 25 | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL411 | 160344 | None | 54 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -45 | 25 | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 11980903 | 14498 | None | 13 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | 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 | 14498 | None | 13 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | 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 | 14498 | None | 13 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | 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 | 14498 | None | 13 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | 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 | 1664 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 32 | 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 | 1664 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 3396.0 | 1664 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 32 | 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 | 1664 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 32 | 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 | 1664 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 32 | 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 | 1664 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 32 | 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 | 35070 | None | 5 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | 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 | 35070 | None | 5 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | 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 | 35070 | None | 5 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | 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 | 55132 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | 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 | 55132 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | 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 | 207729 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | 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 | 207729 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | 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 | 207729 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | 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 | 207729 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | 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 | 207729 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | 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 | 207729 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | 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 | 207729 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | 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 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 2875 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 5736 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL285802 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| DB09225 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 2335 | 11852 | None | 18 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 12 | 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 | 11852 | None | 18 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 12 | 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 | 11852 | None | 18 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 12 | 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 | 11852 | None | 18 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 12 | 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 | 31229 | None | 62 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1401 | 31229 | None | 62 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
| 2213 | 518 | None | 30 | Human | Binding | pAC50 | = | 7.7 | 7.7 | 28 | 5 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 3008 | 518 | None | 30 | Human | Binding | pAC50 | = | 7.7 | 7.7 | 28 | 5 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 5311010 | 518 | None | 30 | Human | Binding | pAC50 | = | 7.7 | 7.7 | 28 | 5 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 5311010.0 | 518 | None | 30 | Human | Binding | pAC50 | = | 7.7 | 7.7 | 28 | 5 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 68613 | 518 | None | 30 | Human | Binding | pAC50 | = | 7.7 | 7.7 | 28 | 5 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 68613.0 | 518 | None | 30 | Human | Binding | pAC50 | = | 7.7 | 7.7 | 28 | 5 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| CHEMBL378642 | 518 | None | 30 | Human | Binding | pAC50 | = | 7.7 | 7.7 | 28 | 5 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| CHEMBL382301 | 518 | None | 30 | Human | Binding | pAC50 | = | 7.7 | 7.7 | 28 | 5 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| DB09059 | 518 | None | 30 | Human | Binding | pAC50 | = | 7.7 | 7.7 | 28 | 5 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 72081 | 211735 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | 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 | |||||
| 72081.0 | 211735 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | 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 | |||||
| CHEMBL2135460 | 211735 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | 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 | |||||
| DB02638 | 211735 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | 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 | 3773 | None | 26 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 19 | 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 | 3773 | None | 26 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 19 | 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 | 3773 | None | 26 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 19 | 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 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 4615 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 4615.0 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL13828 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| DB12877 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 24826799 | 10802 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | 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 | 10802 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | 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 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 34 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 60795 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 60795.0 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1112 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| DB01238 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 26248 | 161633 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | 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 | 161633 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | 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 | 137055 | None | 20 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | 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 | 137055 | None | 20 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | 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 | 137055 | None | 20 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | 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 | 198942 | None | 55 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | 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 | 198942 | None | 55 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | 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 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 6 | 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 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 6 | 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 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 6 | 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 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 6 | 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 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 6 | 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 | 14508 | None | 49 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | 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 | 14508 | None | 49 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | 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 | 62505 | None | 35 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | 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 | 62505 | None | 35 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | 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 | 62505 | None | 35 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | 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 | 100270 | None | 65 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | 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 | 100270 | None | 65 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | 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 | 56328 | None | 57 | Human | Binding | pAC50 | = | 5.2 | 5.2 | -2 | 4 | 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 | 56328 | None | 57 | Human | Binding | pAC50 | = | 5.2 | 5.2 | -2 | 4 | 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 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | 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 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | 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 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | 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 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | 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 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | 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 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | 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 | 63103 | None | 64 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL178862 | 63103 | None | 64 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2168 | 3976 | None | 29 | Human | Binding | pEC50 | = | 9.6 | 9.6 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| 2810 | 3976 | None | 29 | Human | Binding | pEC50 | = | 9.6 | 9.6 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| 644077 | 3976 | None | 29 | Human | Binding | pEC50 | = | 9.6 | 9.6 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| 644077.0 | 3976 | None | 29 | Human | Binding | pEC50 | = | 9.6 | 9.6 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Binding | pEC50 | = | 9.6 | 9.6 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| DB00067 | 3976 | None | 29 | Human | Binding | pEC50 | = | 9.6 | 9.6 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| 2042 | 2983 | None | 40 | Human | Binding | pEC50 | = | 8 | 8.0 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| 2174 | 2983 | None | 40 | Human | Binding | pEC50 | = | 8 | 8.0 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| 2176 | 2983 | None | 40 | Human | Binding | pEC50 | = | 8 | 8.0 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| 439302 | 2983 | None | 40 | Human | Binding | pEC50 | = | 8 | 8.0 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| 439302.0 | 2983 | None | 40 | Human | Binding | pEC50 | = | 8 | 8.0 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| CHEMBL395429 | 2983 | None | 40 | Human | Binding | pEC50 | = | 8 | 8.0 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| DB00107 | 2983 | None | 40 | Human | Binding | pEC50 | = | 8 | 8.0 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm500365s | |||||
| 118719829 | 115817 | None | 0 | Human | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | 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 | 115817 | None | 0 | Human | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | 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 | 203691 | None | 0 | Human | Binding | pEC50 | = | 7.9 | 7.9 | -2 | 3 | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | |||
| CHEMBL603708 | 203691 | None | 0 | Human | Binding | pEC50 | = | 7.9 | 7.9 | -2 | 3 | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | |||
| 118719827 | 115815 | None | 0 | Human | Binding | pEC50 | = | 7.7 | 7.7 | - | 0 | 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 | 115815 | None | 0 | Human | Binding | pEC50 | = | 7.7 | 7.7 | - | 0 | 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 | 169078 | None | 10 | Human | Binding | pEC50 | = | 7.7 | 7.7 | - | 1 | 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 | 169078 | None | 10 | Human | Binding | pEC50 | = | 7.7 | 7.7 | - | 1 | 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 | 3976 | None | 29 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | |||||
| 2810 | 3976 | None | 29 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | |||||
| 644077 | 3976 | None | 29 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | |||||
| 644077.0 | 3976 | None | 29 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | |||||
| DB00067 | 3976 | None | 29 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | |||||
| 2252 | 2230 | None | 35 | Human | Binding | pEC50 | = | 5.5 | 5.5 | -851 | 5 | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901084f | |||
| 6918320 | 2230 | None | 35 | Human | Binding | pEC50 | = | 5.5 | 5.5 | -851 | 5 | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901084f | |||
| CHEMBL24781 | 2230 | None | 35 | Human | Binding | pEC50 | = | 5.5 | 5.5 | -851 | 5 | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901084f | |||
| 11169 | 797 | None | 33 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 2 | 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 | 797 | None | 33 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 2 | 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 | |||||
| 165708555 | 797 | None | 33 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 2 | 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 | |||||
| 165708555.0 | 797 | None | 33 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 2 | 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 | 797 | None | 33 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 2 | 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 | |||||
| 16681432.0 | 797 | None | 33 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 2 | 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 | 797 | None | 33 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 2 | 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 | 797 | None | 33 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 2 | 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 | 797 | None | 33 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 2 | 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 | 4004 | None | 22 | Human | Binding | pEC50 | = | 6.3 | 6.3 | -9 | 3 | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | |||
| 5311500 | 4004 | None | 22 | Human | Binding | pEC50 | = | 6.3 | 6.3 | -9 | 3 | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | |||
| CHEMBL363910 | 4004 | None | 22 | Human | Binding | pEC50 | = | 6.3 | 6.3 | -9 | 3 | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | |||
| 118720282 | 115918 | None | 0 | Human | Binding | pEC50 | = | 7.2 | 7.2 | - | 0 | 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 | 115918 | None | 0 | Human | Binding | pEC50 | = | 7.2 | 7.2 | - | 0 | 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 | 115809 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | 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 | 115809 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | 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 | 115911 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | 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 | 115911 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | 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 | 212330 | None | 21 | Human | Binding | pIC50 | = | 9.2 | 9.2 | - | 1 | 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 | 212330 | None | 21 | Human | Binding | pIC50 | = | 9 | 9.0 | - | 1 | 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 | 212330 | None | 21 | Human | Binding | pIC50 | = | 9 | 9.0 | - | 1 | 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 | 153267 | None | 0 | Human | Binding | pIC50 | = | 9 | 9.0 | - | 0 | 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 | 153267 | None | 0 | Human | Binding | pIC50 | = | 9 | 9.0 | - | 0 | 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 | 161661 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | 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 | 161661 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | 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 | 212330 | None | 21 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 1 | 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 | 152676 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | 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 | 152676 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | 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 | 4969 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | 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 | 4969 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | 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 | 143805 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | ChEMBL | 557 | 9 | 2 | 7 | 4.2 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)c1ccccc1Cl | nan | |||
| CHEMBL3900528 | 143805 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | ChEMBL | 557 | 9 | 2 | 7 | 4.2 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)c1ccccc1Cl | nan | |||
| 10527151 | 102228 | None | 0 | Rat | Binding | pIC50 | = | 8 | 8.0 | - | 0 | ChEMBL | 441 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm980179c | |||
| CHEMBL302709 | 102228 | None | 0 | Rat | Binding | pIC50 | = | 8 | 8.0 | - | 0 | ChEMBL | 441 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm980179c | |||
| 44332181 | 4237 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | 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 | 4237 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | 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 | 4367 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | 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 | 4367 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | 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 | 169220 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | 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 | 169220 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | 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 | 102228 | None | 0 | Rat | Binding | pIC50 | = | 8 | 8.0 | - | 0 | ChEMBL | 441 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL302709 | 102228 | None | 0 | Rat | Binding | pIC50 | = | 8 | 8.0 | - | 0 | ChEMBL | 441 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(03)00388-3 | |||
| 14969547 | 100969 | None | 0 | Rat | Binding | pIC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 449 | 9 | 1 | 4 | 4.2 | NCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL293905 | 100969 | None | 0 | Rat | Binding | pIC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 449 | 9 | 1 | 4 | 4.2 | NCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 44428417 | 93343 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | 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 | 93343 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | 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 | 101675 | None | 0 | Rat | Binding | pIC50 | = | 7 | 7.0 | - | 0 | 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 | 101675 | None | 0 | Rat | Binding | pIC50 | = | 7 | 7.0 | - | 0 | 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 | 94071 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | 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 | 94071 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | 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 | 154842 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | 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 | 154842 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | 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 | 142635 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 142635 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 114876 | None | 0 | Rat | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 443 | 5 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL334082 | 114876 | None | 0 | Rat | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 443 | 5 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| 44433367 | 89881 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 89881 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 89960 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 89960 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 90221 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 90221 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 146740 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 146740 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 113575 | None | 0 | Rat | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | |||
| CHEMBL332090 | 113575 | None | 0 | Rat | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | |||
| 44213444 | 101969 | None | 0 | Rat | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 442 | 3 | 1 | 4 | 5.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1Cl | 10.1016/s0960-894x(99)00279-6 | |||
| CHEMBL300963 | 101969 | None | 0 | Rat | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 442 | 3 | 1 | 4 | 5.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1Cl | 10.1016/s0960-894x(99)00279-6 | |||
| 44374802 | 120067 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | 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 | 120067 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | 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 | 74973 | None | 0 | Rat | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | 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 | 74973 | None | 0 | Rat | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | 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 | 211703 | None | 0 | Rat | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | 101042 | None | 0 | Rat | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 324 | 2 | 0 | 3 | 2.9 | O=C(c1ccco1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL294293 | 101042 | None | 0 | Rat | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 324 | 2 | 0 | 3 | 2.9 | O=C(c1ccco1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 14969530 | 202245 | None | 0 | Rat | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 377 | 3 | 1 | 3 | 2.4 | NC(=O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL59397 | 202245 | None | 0 | Rat | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 377 | 3 | 1 | 3 | 2.4 | NC(=O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 10713341 | 12960 | None | 0 | Rat | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 357 | 3 | 1 | 3 | 3.9 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccnc1 | 10.1021/jm960133o | |||
| CHEMBL118933 | 12960 | None | 0 | Rat | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 357 | 3 | 1 | 3 | 3.9 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccnc1 | 10.1021/jm960133o | |||
| 9828129 | 116685 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 116685 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 21389 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 21389 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 150499 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 150499 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 146840 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 146840 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 4322 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 4322 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 71806 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 406 | 4 | 0 | 2 | 6.3 | CCCc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | |||
| CHEMBL196737 | 71806 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 406 | 4 | 0 | 2 | 6.3 | CCCc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | |||
| 14969554 | 102302 | None | 0 | Rat | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 491 | 10 | 1 | 4 | 4.3 | CC(=O)NCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL303134 | 102302 | None | 0 | Rat | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 491 | 10 | 1 | 4 | 4.3 | CC(=O)NCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 86690931 | 149117 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 149117 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 154361 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 154361 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 208015 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 453 | 3 | 1 | 3 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(C)c1 | 10.1021/jm980179c | |||
| CHEMBL81133 | 208015 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 453 | 3 | 1 | 3 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(C)c1 | 10.1021/jm980179c | |||
| 21837107 | 206358 | None | 0 | Rat | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 206358 | None | 0 | Rat | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 205770 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(Cl)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL64811 | 205770 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(Cl)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 44352302 | 18965 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 18965 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115833 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115833 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115920 | None | 5 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 1 | 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 | 115920 | None | 5 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 1 | 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 | 115928 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115928 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 12859 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 455 | 6 | 1 | 3 | 6.1 | CCCN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| CHEMBL118863 | 12859 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 455 | 6 | 1 | 3 | 6.1 | CCCN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| 10620180 | 113568 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 386 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCOc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL332060 | 113568 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 386 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCOc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 14969509 | 204398 | None | 0 | Rat | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 348 | 3 | 0 | 2 | 3.2 | O=C(Cc1ccccc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL60773 | 204398 | None | 0 | Rat | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 348 | 3 | 0 | 2 | 3.2 | O=C(Cc1ccccc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL2112651 | 211701 | None | 0 | Rat | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.9 | 6.9 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.9 | 6.9 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.9 | 6.9 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.9 | 6.9 | -64 | 2 | 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 | 56273 | None | 0 | Rat | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | 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 | 56273 | None | 0 | Rat | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | 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 | 56328 | None | 57 | Human | Binding | pIC50 | = | 4.9 | 4.9 | -2 | 4 | 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 | 56328 | None | 57 | Human | Binding | pIC50 | = | 4.9 | 4.9 | -2 | 4 | 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 | 161829 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 161829 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 145705 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 145705 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 94190 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 94190 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 72064 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 370 | 2 | 0 | 3 | 5.4 | O=C(c1ccc(-c2cccs2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | |||
| CHEMBL197616 | 72064 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 370 | 2 | 0 | 3 | 5.4 | O=C(c1ccc(-c2cccs2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | |||
| 22861321 | 134408 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 421 | 4 | 0 | 3 | 5.4 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3ccccc3)cc1)C2 | 10.1016/j.bmcl.2005.08.007 | |||
| CHEMBL371721 | 134408 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 421 | 4 | 0 | 3 | 5.4 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3ccccc3)cc1)C2 | 10.1016/j.bmcl.2005.08.007 | |||
| 56848687 | 150569 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 150569 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 203230 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 350 | 2 | 1 | 3 | 3.0 | O=C(c1ccc(O)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL60054 | 203230 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 350 | 2 | 1 | 3 | 3.0 | O=C(c1ccc(O)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 14969516 | 203508 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 348 | 2 | 0 | 2 | 3.6 | Cc1cccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)c1 | 10.1021/jm00066a010 | |||
| CHEMBL60262 | 203508 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 348 | 2 | 0 | 2 | 3.6 | Cc1cccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)c1 | 10.1021/jm00066a010 | |||
| 118719822 | 115810 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115810 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115828 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115828 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115899 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115899 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115922 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115922 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 2218 | None | 2 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | -117 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | |||||
| 9810632 | 2218 | None | 2 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | -117 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | |||||
| CHEMBL127686 | 2218 | None | 2 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | -117 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | |||||
| CHEMBL338018 | 214061 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 215014 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 13919 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 481 | 4 | 1 | 3 | 6.3 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| CHEMBL119638 | 13919 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 481 | 4 | 1 | 3 | 6.3 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| 14981576 | 78901 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 78901 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 72809 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 72809 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 73545 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 73545 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 148500 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 148500 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 18966 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 18966 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 11926 | None | 0 | Rat | Binding | pIC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL118271 | 11926 | None | 0 | Rat | Binding | pIC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| 44332238 | 107451 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 107451 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 203924 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 352 | 2 | 0 | 2 | 3.4 | O=C(c1ccc(F)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL60502 | 203924 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 352 | 2 | 0 | 2 | 3.4 | O=C(c1ccc(F)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 14969521 | 205656 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 392 | 3 | 0 | 4 | 3.2 | CC(=O)Oc1ccccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL64332 | 205656 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 392 | 3 | 0 | 4 | 3.2 | CC(=O)Oc1ccccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 118719826 | 115814 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115814 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115824 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115824 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115905 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 1 | 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 | 115905 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 1 | 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 | 115914 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 115914 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 2606 | None | 50 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | -31 | 8 | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm960133o | |||
| 2197 | 2606 | None | 50 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | -31 | 8 | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm960133o | |||
| 4004 | 2606 | None | 50 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | -31 | 8 | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm960133o | |||
| CHEMBL420762 | 2606 | None | 50 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | -31 | 8 | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm960133o | |||
| 10666852 | 113127 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL331164 | 113127 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL1790938 | 211366 | None | 0 | Rat | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | 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 | 114509 | None | 0 | Rat | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 400 | 5 | 1 | 3 | 4.9 | CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | |||
| CHEMBL333340 | 114509 | None | 0 | Rat | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 400 | 5 | 1 | 3 | 4.9 | CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | |||
| 10766720 | 105506 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 469 | 4 | 1 | 4 | 5.4 | COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc21 | 10.1021/jm980179c | |||
| CHEMBL312036 | 105506 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 469 | 4 | 1 | 4 | 5.4 | COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc21 | 10.1021/jm980179c | |||
| 9826254 | 163404 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | |||
| CHEMBL418890 | 163404 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | |||
| 23598619 | 94592 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 94592 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 163404 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 163404 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 4371 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 4371 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 103110 | None | 0 | Rat | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 432 | 3 | 1 | 2 | 6.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL307271 | 103110 | None | 0 | Rat | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 432 | 3 | 1 | 2 | 6.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 172997 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 102902 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 350 | 2 | 1 | 3 | 3.0 | O=C(c1ccccc1O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL305588 | 102902 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 350 | 2 | 1 | 3 | 3.0 | O=C(c1ccccc1O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 14969539 | 168064 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 434 | 8 | 0 | 3 | 5.2 | CCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL431723 | 168064 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 434 | 8 | 0 | 3 | 5.2 | CCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 118720261 | 115898 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 115898 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 206740 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 434 | 3 | 1 | 3 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Oc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL71283 | 206740 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 434 | 3 | 1 | 3 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Oc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 44273369 | 99598 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 99598 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 4969 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 4969 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 52667 | None | 0 | Rat | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 52667 | None | 0 | Rat | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 107318 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 107318 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 102100 | None | 0 | Rat | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 477 | 9 | 1 | 4 | 4.0 | CC(=O)NCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL301850 | 102100 | None | 0 | Rat | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 477 | 9 | 1 | 4 | 4.0 | CC(=O)NCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 44352767 | 115185 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | 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 | 115185 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | 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 | 163042 | None | 0 | Rat | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | 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 | 163042 | None | 0 | Rat | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | 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 | 115916 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 115916 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 211127 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 215701 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 12527 | None | 4 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | |||
| CHEMBL118660 | 12527 | None | 4 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | |||
| 10598596 | 12946 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 427 | 5 | 2 | 3 | 5.3 | CCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| CHEMBL118922 | 12946 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 427 | 5 | 2 | 3 | 5.3 | CCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| 10642000 | 114456 | None | 7 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1 | 10.1021/jm960133o | |||
| CHEMBL333139 | 114456 | None | 7 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1 | 10.1021/jm960133o | |||
| 10790546 | 110710 | None | 0 | Rat | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 470 | 5 | 2 | 4 | 4.9 | CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL325819 | 110710 | None | 0 | Rat | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 470 | 5 | 2 | 4 | 4.9 | CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| 10501216 | 113196 | None | 0 | Rat | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 | 10.1021/jm960133o | |||
| CHEMBL331424 | 113196 | None | 0 | Rat | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 | 10.1021/jm960133o | |||
| 118719824 | 115812 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 115812 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 145630 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 145630 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 151838 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 151838 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 206227 | None | 0 | Rat | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 407 | 3 | 1 | 3 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL68033 | 206227 | None | 0 | Rat | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 407 | 3 | 1 | 3 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 44273368 | 98848 | None | 0 | Rat | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | 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 | 98848 | None | 0 | Rat | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | 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 | 142458 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 142458 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 114863 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 362 | 3 | 1 | 3 | 4.6 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccsc1 | 10.1021/jm960133o | |||
| CHEMBL334009 | 114863 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 362 | 3 | 1 | 3 | 4.6 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccsc1 | 10.1021/jm960133o | |||
| 19699097 | 120068 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 120068 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 120233 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 120233 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 9838 | None | 41 | Human | Binding | pIC50 | = | 4.8 | 4.8 | -33 | 8 | 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 | 9838 | None | 41 | Human | Binding | pIC50 | = | 4.8 | 4.8 | -33 | 8 | 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 | 75077 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 415 | 2 | 1 | 5 | 5.0 | Cn1ccc(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmcl.2005.10.107 | |||
| CHEMBL203513 | 75077 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 415 | 2 | 1 | 5 | 5.0 | Cn1ccc(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmcl.2005.10.107 | |||
| 56848686 | 144626 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 144626 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 154894 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 154894 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 21483 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | 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 | 21483 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.8 | 6.8 | -64 | 2 | 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 | 115819 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 115819 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 115906 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 115906 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 114602 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)Cc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL333652 | 114602 | None | 0 | Rat | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)Cc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 44273080 | 98672 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 98672 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 5369 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 5369 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 148637 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 148637 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 147125 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 147125 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 154710 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 154710 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 206686 | None | 0 | Rat | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 433 | 3 | 2 | 3 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Nc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL70949 | 206686 | None | 0 | Rat | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 433 | 3 | 2 | 3 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Nc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 14969510 | 203093 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 334 | 2 | 0 | 2 | 3.3 | O=C(c1ccccc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL59947 | 203093 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 334 | 2 | 0 | 2 | 3.3 | O=C(c1ccccc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 118719834 | 115822 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 115822 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 12880 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 428 | 4 | 2 | 4 | 4.6 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3N)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| CHEMBL118878 | 12880 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 428 | 4 | 2 | 4 | 4.6 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3N)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| 10527137 | 12791 | None | 0 | Rat | Binding | pIC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 441 | 4 | 0 | 3 | 5.3 | Cc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL118805 | 12791 | None | 0 | Rat | Binding | pIC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 441 | 4 | 0 | 3 | 5.3 | Cc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| 10834036 | 13640 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL119442 | 13640 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 44428412 | 143228 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | 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 | 143228 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | 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 | 63057 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | 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 | 63057 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | 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 | 154819 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | 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 | 154819 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | 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 | 206752 | None | 0 | Rat | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | 485 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Br | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL71355 | 206752 | None | 0 | Rat | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | 485 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Br | 10.1016/s0960-894x(03)00388-3 | |||
| 44404614 | 165845 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | 378 | 2 | 0 | 2 | 5.7 | Cc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | |||
| CHEMBL424663 | 165845 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | 378 | 2 | 0 | 2 | 5.7 | Cc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | |||
| 10003306 | 206231 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | |||
| CHEMBL68085 | 206231 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | |||
| 44332168 | 4487 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 4487 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 206231 | None | 0 | Rat | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL68085 | 206231 | None | 0 | Rat | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 14969520 | 205164 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 379 | 3 | 0 | 4 | 3.2 | O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL61688 | 205164 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 379 | 3 | 0 | 4 | 3.2 | O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 14969543 | 205205 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 393 | 5 | 1 | 4 | 2.6 | NCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL61947 | 205205 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 393 | 5 | 1 | 4 | 2.6 | NCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 118719830 | 115818 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 115818 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 214065 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 56163 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 56163 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 120233 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 120233 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 163805 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 409 | 3 | 1 | 6 | 2.5 | O=C(OCc1ccc2c(c1)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm010878g | |||
| CHEMBL420500 | 163805 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 409 | 3 | 1 | 6 | 2.5 | O=C(OCc1ccc2c(c1)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm010878g | |||
| 44293763 | 101563 | None | 0 | Rat | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 422 | 3 | 1 | 4 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | |||
| CHEMBL297990 | 101563 | None | 0 | Rat | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 422 | 3 | 1 | 4 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | |||
| 22405324 | 70620 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 70620 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 203283 | None | 0 | Rat | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 463 | 8 | 1 | 4 | 3.6 | CC(=O)NCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL60096 | 203283 | None | 0 | Rat | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 463 | 8 | 1 | 4 | 3.6 | CC(=O)NCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 14969536 | 204345 | None | 0 | Rat | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 378 | 4 | 0 | 3 | 3.7 | CCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL60736 | 204345 | None | 0 | Rat | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 378 | 4 | 0 | 3 | 3.7 | CCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 118720288 | 115926 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 115926 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 119995 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 119995 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 120102 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 120102 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 78902 | None | 0 | Rat | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | 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 | 78902 | None | 0 | Rat | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | 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 | 115827 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 115827 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 13767 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | |||
| CHEMBL119534 | 13767 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | |||
| 11059058 | 10093 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 429 | 3 | 1 | 7 | 4.1 | O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1021/jm010878g | |||
| CHEMBL115444 | 10093 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 429 | 3 | 1 | 7 | 4.1 | O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1021/jm010878g | |||
| 53378730 | 153032 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 548 | 7 | 1 | 7 | 5.4 | O=c1n(Cc2nnc(Cc3ccccc3C(F)(F)F)[nH]2)nc(-c2ccc(Cl)s2)n1Cc1ccccc1F | nan | |||
| CHEMBL3975038 | 153032 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 548 | 7 | 1 | 7 | 5.4 | O=c1n(Cc2nnc(Cc3ccccc3C(F)(F)F)[nH]2)nc(-c2ccc(Cl)s2)n1Cc1ccccc1F | nan | |||
| 9826254 | 163404 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | |||
| CHEMBL418890 | 163404 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | |||
| 9826254 | 163404 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 163404 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 163404 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 163404 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 149803 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 149803 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -64 | 2 | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | |||
| 2238 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -64 | 2 | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | |||
| CHEMBL49429 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -64 | 2 | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | |||
| DB06666 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -64 | 2 | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | |||
| 21467152 | 53173 | None | 0 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 53173 | None | 0 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -64 | 2 | 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 | 2332 | None | 49 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -64 | 2 | 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 | 11820 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 11820 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 114170 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 384 | 5 | 1 | 2 | 4.9 | O=C(CCc1ccccc1)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL332757 | 114170 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 384 | 5 | 1 | 2 | 4.9 | O=C(CCc1ccccc1)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 71458039 | 78906 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 78906 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 99238 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 99238 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 99079 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 99079 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 163447 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 163447 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 144970 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 144970 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 167941 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | -1 | 2 | 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 | 167941 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | -1 | 2 | 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 | 169626 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | -14 | 2 | 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 | 169626 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | -14 | 2 | 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 | 204225 | None | 0 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 435 | 8 | 1 | 4 | 2.8 | O=CNCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL60672 | 204225 | None | 0 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 435 | 8 | 1 | 4 | 2.8 | O=CNCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 19699093 | 120102 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 120102 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 102791 | None | 0 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 435 | 3 | 1 | 3 | 5.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL304956 | 102791 | None | 0 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 435 | 3 | 1 | 3 | 5.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C | 10.1016/s0960-894x(03)00388-3 | |||
| 5099582 | 110569 | None | 6 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 322 | 3 | 1 | 2 | 3.9 | CC(C)C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL324935 | 110569 | None | 6 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 322 | 3 | 1 | 2 | 3.9 | CC(C)C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 10574499 | 113051 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)c1 | 10.1021/jm960133o | |||
| CHEMBL331098 | 113051 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)c1 | 10.1021/jm960133o | |||
| 56848557 | 146761 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 146761 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 208090 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl | 10.1021/jm980179c | |||
| CHEMBL81755 | 208090 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl | 10.1021/jm980179c | |||
| 14969550 | 202704 | None | 0 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 449 | 9 | 1 | 4 | 3.2 | O=CNCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL59699 | 202704 | None | 0 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 449 | 9 | 1 | 4 | 3.2 | O=CNCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 44335356 | 5227 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -5 | 2 | ChEMBL | 385 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCNc3ccccc32)cc1 | 10.1016/s0960-894x(02)00649-2 | |||
| CHEMBL106229 | 5227 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | -5 | 2 | ChEMBL | 385 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCNc3ccccc32)cc1 | 10.1016/s0960-894x(02)00649-2 | |||
| 14969505 | 102706 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 340 | 2 | 0 | 3 | 3.3 | O=C(c1cccs1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL304430 | 102706 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 340 | 2 | 0 | 3 | 3.3 | O=C(c1cccs1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 118720267 | 115904 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 115904 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 11879 | None | 1 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 406 | 4 | 1 | 3 | 4.5 | O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCCc2ccccc21 | 10.1021/jm960133o | |||
| CHEMBL118244 | 11879 | None | 1 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 406 | 4 | 1 | 3 | 4.5 | O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCCc2ccccc21 | 10.1021/jm960133o | |||
| 15307967 | 102346 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 432 | 3 | 1 | 2 | 6.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL303376 | 102346 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 432 | 3 | 1 | 2 | 6.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 448537 | 160344 | None | 54 | Human | Binding | pIC50 | = | 4.6 | 4.6 | -45 | 25 | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| CHEMBL411 | 160344 | None | 54 | Human | Binding | pIC50 | = | 4.6 | 4.6 | -45 | 25 | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| 10551037 | 206692 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | |||
| CHEMBL70981 | 206692 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | |||
| 11798757 | 206746 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 475 | 3 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F | 10.1021/jm980179c | |||
| CHEMBL71305 | 206746 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 475 | 3 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F | 10.1021/jm980179c | |||
| 23598560 | 4452 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 4452 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 206692 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL70981 | 206692 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 11798757 | 206746 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 206746 | None | 0 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 145985 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 508 | 6 | 1 | 6 | 5.1 | O=c1n(Cc2cncc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | |||
| CHEMBL3917760 | 145985 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 508 | 6 | 1 | 6 | 5.1 | O=c1n(Cc2cncc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | |||
| 86690918 | 151909 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 151909 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 101370 | None | 1 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 101370 | None | 1 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 211695 | None | 2 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 2 | 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 | 13469 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 13469 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 114596 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 114596 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 205652 | None | 0 | Rat | Binding | pIC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 336 | 2 | 0 | 4 | 2.1 | O=C(c1cnccn1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL64319 | 205652 | None | 0 | Rat | Binding | pIC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 336 | 2 | 0 | 4 | 2.1 | O=C(c1cnccn1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 10693776 | 10163 | None | 0 | Rat | Binding | pIC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)cc1 | 10.1021/jm960133o | |||
| CHEMBL115853 | 10163 | None | 0 | Rat | Binding | pIC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)cc1 | 10.1021/jm960133o | |||
| 44428431 | 167352 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 167352 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 145117 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 145117 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 206739 | None | 1 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 206739 | None | 1 | Rat | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 115830 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 115830 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 102311 | None | 0 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 421 | 3 | 1 | 3 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL303176 | 102311 | None | 0 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 421 | 3 | 1 | 3 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 10621059 | 114326 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-] | 10.1021/jm960133o | |||
| CHEMBL333055 | 114326 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-] | 10.1021/jm960133o | |||
| 44273321 | 167600 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 167600 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 163375 | None | 0 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 435 | 8 | 1 | 4 | 3.8 | NCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL418692 | 163375 | None | 0 | Rat | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 435 | 8 | 1 | 4 | 3.8 | NCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 118720260 | 115897 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 115897 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 72360 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 394 | 3 | 0 | 3 | 5.8 | Cc1ccc(Oc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | |||
| CHEMBL198446 | 72360 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 394 | 3 | 0 | 3 | 5.8 | Cc1ccc(Oc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | |||
| 14969531 | 102156 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 391 | 3 | 1 | 3 | 3.2 | CC(=O)Nc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL302233 | 102156 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 391 | 3 | 1 | 3 | 3.2 | CC(=O)Nc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 10548204 | 12388 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 | 10.1021/jm960133o | |||
| CHEMBL118562 | 12388 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 | 10.1021/jm960133o | |||
| 10601045 | 13966 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 487 | 4 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCC(N3CCCCC3)c3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | |||
| CHEMBL119671 | 13966 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 487 | 4 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCC(N3CCCCC3)c3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | |||
| 10599903 | 14576 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 456 | 4 | 3 | 3 | 4.7 | CNC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| CHEMBL120449 | 14576 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 456 | 4 | 3 | 3 | 4.7 | CNC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| 69940395 | 149166 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 149166 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 110435 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 470 | 6 | 2 | 4 | 4.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)CC(N)=O)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL324251 | 110435 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 470 | 6 | 2 | 4 | 4.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)CC(N)=O)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| 44273316 | 98925 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 98925 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 99561 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 99561 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 140660 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 364 | 2 | 0 | 2 | 5.4 | O=C(c1ccc(-c2ccccc2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | |||
| CHEMBL381248 | 140660 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 364 | 2 | 0 | 2 | 5.4 | O=C(c1ccc(-c2ccccc2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | |||
| 9935001 | 53166 | None | 0 | Rat | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 483 | 4 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | |||
| CHEMBL159823 | 53166 | None | 0 | Rat | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 483 | 4 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | |||
| 25109291 | 191495 | None | 6 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -56 | 12 | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | |||
| CHEMBL519240 | 191495 | None | 6 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -56 | 12 | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | |||
| 18917553 | 101517 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 484 | 4 | 1 | 4 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(99)00279-6 | |||
| CHEMBL297705 | 101517 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 484 | 4 | 1 | 4 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(99)00279-6 | |||
| 44332239 | 4535 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 4535 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 202789 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 519 | 12 | 1 | 4 | 5.1 | CC(=O)NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL59754 | 202789 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 519 | 12 | 1 | 4 | 5.1 | CC(=O)NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 118720273 | 115909 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 115909 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 214062 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 11924 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 447 | 4 | 1 | 3 | 5.6 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| CHEMBL118270 | 11924 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 447 | 4 | 1 | 3 | 5.6 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| 10716675 | 114979 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 413 | 4 | 1 | 3 | 5.0 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| CHEMBL334225 | 114979 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 413 | 4 | 1 | 3 | 5.0 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| 67409800 | 146986 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 146986 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 102791 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 435 | 3 | 1 | 3 | 5.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C | 10.1021/jm980179c | |||
| CHEMBL304956 | 102791 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 435 | 3 | 1 | 3 | 5.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C | 10.1021/jm980179c | |||
| 10789117 | 207070 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 437 | 4 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | |||
| CHEMBL73286 | 207070 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 437 | 4 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | |||
| 10789117 | 207070 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 437 | 4 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL73286 | 207070 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 437 | 4 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 44293784 | 188003 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 188003 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 100974 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 359 | 2 | 0 | 3 | 3.1 | N#Cc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL293922 | 100974 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 359 | 2 | 0 | 3 | 3.1 | N#Cc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 14969519 | 204325 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 379 | 3 | 0 | 4 | 3.2 | O=C(c1cccc([N+](=O)[O-])c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL60726 | 204325 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 379 | 3 | 0 | 4 | 3.2 | O=C(c1cccc([N+](=O)[O-])c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 9826033 | 57479 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 57479 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 11849 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 | 10.1021/jm960133o | |||
| CHEMBL118220 | 11849 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 | 10.1021/jm960133o | |||
| 44352768 | 115320 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 115320 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | |||
| 52912189 | 73564 | None | 50 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 415 | 4 | 1 | 7 | 4.2 | COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12 | 10.6019/CHEMBL5465560 | |||
| CHEMBL2017291 | 73564 | None | 50 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 415 | 4 | 1 | 7 | 4.2 | COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12 | 10.6019/CHEMBL5465560 | |||
| 10696913 | 208027 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 505 | 4 | 1 | 4 | 6.3 | COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | |||
| CHEMBL81269 | 208027 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 505 | 4 | 1 | 4 | 6.3 | COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | |||
| 44444760 | 154709 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 154709 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 202763 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 392 | 5 | 0 | 3 | 4.1 | CCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL59740 | 202763 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 392 | 5 | 0 | 3 | 4.1 | CCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 14981574 | 78905 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 78905 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 90714 | None | 1 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 4 | 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 | 90714 | None | 1 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 4 | 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 | 115829 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 115829 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 214076 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 2 | 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 | 13854 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 441 | 4 | 2 | 3 | 4.9 | CC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| CHEMBL119591 | 13854 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 441 | 4 | 2 | 3 | 4.9 | CC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| 10499401 | 14037 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 370 | 4 | 1 | 2 | 4.5 | O=C(Cc1ccccc1)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL119730 | 14037 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 370 | 4 | 1 | 2 | 4.5 | O=C(Cc1ccccc1)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 10647295 | 110330 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 452 | 5 | 1 | 4 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)CC#N)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL323802 | 110330 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 452 | 5 | 1 | 4 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)CC#N)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL435021 | 216122 | None | 2 | Rat | Binding | pIC50 | = | 4.5 | 4.5 | - | 2 | 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 | 101967 | None | 4 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 440 | 3 | 1 | 4 | 4.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | |||
| CHEMBL300946 | 101967 | None | 4 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 440 | 3 | 1 | 4 | 4.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | |||
| 10528416 | 104785 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 471 | 4 | 1 | 4 | 5.6 | COc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | |||
| CHEMBL310581 | 104785 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 471 | 4 | 1 | 4 | 5.6 | COc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | |||
| 10743659 | 208160 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 489 | 3 | 1 | 3 | 6.6 | Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | |||
| CHEMBL82376 | 208160 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 489 | 3 | 1 | 3 | 6.6 | Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | |||
| 54582950 | 63057 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 63057 | None | 0 | Rat | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 100962 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 376 | 4 | 0 | 2 | 4.2 | CCCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL293863 | 100962 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 376 | 4 | 0 | 2 | 4.2 | CCCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 14969545 | 102716 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 421 | 7 | 1 | 4 | 3.4 | NCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL304485 | 102716 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 421 | 7 | 1 | 4 | 3.4 | NCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 118720287 | 115925 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 115925 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 218195 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 2 | 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 | 11037 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 384 | 3 | 1 | 2 | 5.1 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c(C)c1 | 10.1021/jm960133o | |||
| CHEMBL117566 | 11037 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 384 | 3 | 1 | 2 | 5.1 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c(C)c1 | 10.1021/jm960133o | |||
| 89701036 | 151892 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 151892 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 2 | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | |||
| 2238 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 2 | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | |||
| CHEMBL49429 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 2 | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | |||
| DB06666 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 2 | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | |||
| 10814200 | 163599 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 469 | 3 | 1 | 3 | 6.2 | Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1 | 10.1021/jm980179c | |||
| CHEMBL420216 | 163599 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 469 | 3 | 1 | 3 | 6.2 | Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1 | 10.1021/jm980179c | |||
| 172997 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 2 | 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 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 2 | 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 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 2 | 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 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 2 | 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 | 115820 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 115820 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 107526 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | -1 | 2 | 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 | 107526 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | -1 | 2 | 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 | 109253 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 109253 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 203008 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 390 | 5 | 0 | 2 | 4.6 | CCCCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL59900 | 203008 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 390 | 5 | 0 | 2 | 4.6 | CCCCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 118719844 | 115832 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 115832 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 205272 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 392 | 3 | 0 | 4 | 3.1 | COC(=O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL62344 | 205272 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 392 | 3 | 0 | 4 | 3.1 | COC(=O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL2370623 | 212350 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 101151 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 438 | 3 | 1 | 3 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccsc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(99)00278-4 | |||
| CHEMBL295014 | 101151 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 438 | 3 | 1 | 3 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccsc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(99)00278-4 | |||
| 14969557 | 204981 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 465 | 7 | 1 | 5 | 3.4 | COC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL61154 | 204981 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 465 | 7 | 1 | 5 | 3.4 | COC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 14981575 | 78903 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 1 | 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 | 78903 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 1 | 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 | 10469 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 10469 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 163574 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 493 | 3 | 1 | 3 | 6.4 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1Cl | 10.1021/jm980179c | |||
| CHEMBL420031 | 163574 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 493 | 3 | 1 | 3 | 6.4 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1Cl | 10.1021/jm980179c | |||
| 23598595 | 154893 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 154893 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 78911 | None | 1 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 2 | 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 | 78911 | None | 1 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 2 | 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 | 52667 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 52667 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 2227 | None | 17 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | -30 | 7 | 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 | 2227 | None | 17 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | -30 | 7 | 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 | 2227 | None | 17 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | -30 | 7 | 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 | 205696 | None | 0 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 349 | 2 | 1 | 3 | 2.9 | Nc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL64520 | 205696 | None | 0 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 349 | 2 | 1 | 3 | 2.9 | Nc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 14969522 | 205774 | None | 0 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 392 | 3 | 0 | 4 | 3.2 | CC(=O)Oc1cccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)c1 | 10.1021/jm00066a010 | |||
| CHEMBL64836 | 205774 | None | 0 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 392 | 3 | 0 | 4 | 3.2 | CC(=O)Oc1cccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)c1 | 10.1021/jm00066a010 | |||
| CHEMBL2112247 | 211693 | None | 0 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 162450 | None | 0 | Rat | Binding | pIC50 | = | 4.4 | 4.4 | - | 0 | ChEMBL | 335 | 2 | 0 | 3 | 2.7 | O=C(c1ccncc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL416505 | 162450 | None | 0 | Rat | Binding | pIC50 | = | 4.4 | 4.4 | - | 0 | ChEMBL | 335 | 2 | 0 | 3 | 2.7 | O=C(c1ccncc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 10764664 | 206837 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 421 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | |||
| CHEMBL71797 | 206837 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 421 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | |||
| 10764664 | 206837 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 421 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL71797 | 206837 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 421 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 118720289 | 115927 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 115927 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 114124 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 399 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL332685 | 114124 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 399 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| 44428420 | 92226 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 92226 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 149215 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 149215 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 115896 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 115896 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 164133 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 399 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL420880 | 164133 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 399 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| 44336791 | 8126 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 8126 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 63058 | None | 1 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 63058 | None | 1 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 107287 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 107287 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 150153 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | 554 | 8 | 1 | 7 | 5.5 | COc1ccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)cc1 | nan | |||
| CHEMBL3950716 | 150153 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | 554 | 8 | 1 | 7 | 5.5 | COc1ccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)cc1 | nan | |||
| 56848491 | 152508 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 152508 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 160861 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 160861 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 108648 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -4 | 2 | 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 | 108648 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -4 | 2 | 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 | 151715 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 151715 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 92228 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 92228 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 188215 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 188215 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 94218 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 94218 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 92225 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 92225 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 206820 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 450 | 3 | 1 | 3 | 6.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL71712 | 206820 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 450 | 3 | 1 | 3 | 6.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL2112248 | 211694 | None | 0 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 2 | 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 | 12896 | None | 4 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 346 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccco1 | 10.1021/jm960133o | |||
| CHEMBL118892 | 12896 | None | 4 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 346 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccco1 | 10.1021/jm960133o | |||
| 44428423 | 92349 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 92349 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 93309 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 93309 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 167922 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 167922 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 14135 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 398 | 3 | 1 | 2 | 5.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL119806 | 14135 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 398 | 3 | 1 | 2 | 5.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 172997 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 2 | 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 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 2 | 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 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 2 | 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 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 2 | 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 | 119995 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 119995 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 99102 | None | 0 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 99102 | None | 0 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 73953 | None | 0 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 73953 | None | 0 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 204639 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 435 | 6 | 1 | 4 | 2.8 | CC(=O)NCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL60954 | 204639 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 435 | 6 | 1 | 4 | 2.8 | CC(=O)NCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 14969538 | 205741 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 406 | 6 | 0 | 3 | 4.5 | CCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL64695 | 205741 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 406 | 6 | 0 | 3 | 4.5 | CCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 44428424 | 152677 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 152677 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 101461 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 101461 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 105476 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 469 | 3 | 1 | 3 | 6.2 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1C | 10.1021/jm980179c | |||
| CHEMBL311931 | 105476 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 469 | 3 | 1 | 3 | 6.2 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1C | 10.1021/jm980179c | |||
| 977621 | 10091 | None | 7 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 322 | 4 | 1 | 2 | 4.0 | CCCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL115434 | 10091 | None | 7 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 322 | 4 | 1 | 2 | 4.0 | CCCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 9937535 | 63058 | None | 1 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 63058 | None | 1 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 2954 | None | 43 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | 7 | 7 | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00066a010 | |||
| 2196 | 2954 | None | 43 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | 7 | 7 | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00066a010 | |||
| CHEMBL296908 | 2954 | None | 43 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | 7 | 7 | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00066a010 | |||
| 44352757 | 118518 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 118518 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 78900 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 78900 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 205678 | None | 0 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1cccc(Cl)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL64434 | 205678 | None | 0 | Rat | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1cccc(Cl)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 10673699 | 106740 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 106740 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 151596 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 151596 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 104952 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 509 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | |||
| CHEMBL311230 | 104952 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 509 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | |||
| 10835094 | 12090 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 404 | 3 | 1 | 2 | 5.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | |||
| CHEMBL118387 | 12090 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 404 | 3 | 1 | 2 | 5.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | |||
| 21837089 | 103865 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 451 | 5 | 1 | 4 | 5.3 | CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL309096 | 103865 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 451 | 5 | 1 | 4 | 5.3 | CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 86690916 | 151014 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 151014 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 4246 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 4246 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 205196 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 377 | 3 | 0 | 3 | 3.3 | CN(C)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL61906 | 205196 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 377 | 3 | 0 | 3 | 3.3 | CN(C)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 19699114 | 53392 | None | 0 | Rat | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | 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 | 53392 | None | 0 | Rat | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | 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 | 115919 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 115919 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 205577 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 392 | 3 | 0 | 4 | 3.2 | CC(=O)Oc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL64046 | 205577 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 392 | 3 | 0 | 4 | 3.2 | CC(=O)Oc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 44232512 | 115923 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 115923 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 152218 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 152218 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 99524 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 99524 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 142979 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 142979 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 107357 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 107357 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 107473 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 107473 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 109264 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 109264 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 111022 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 111022 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 151770 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 151770 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 94248 | None | 8 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 94248 | None | 8 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 5173 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | -4 | 2 | 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 | 5173 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | -4 | 2 | 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 | 153817 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 153817 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 107295 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 107295 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 100862 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | CCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL293184 | 100862 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | CCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 14969534 | 167987 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 412 | 2 | 0 | 2 | 4.0 | O=C(c1ccc(Br)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL431159 | 167987 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 412 | 2 | 0 | 2 | 4.0 | O=C(c1ccc(Br)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 14969517 | 202998 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 348 | 2 | 0 | 2 | 3.6 | Cc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL59896 | 202998 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 348 | 2 | 0 | 2 | 3.6 | Cc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 15307972 | 206807 | None | 0 | Rat | Binding | pIC50 | = | 4.3 | 4.3 | - | 0 | ChEMBL | 446 | 3 | 1 | 2 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL71626 | 206807 | None | 0 | Rat | Binding | pIC50 | = | 4.3 | 4.3 | - | 0 | ChEMBL | 446 | 3 | 1 | 2 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 56848685 | 151884 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 151884 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 214091 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 168496 | None | 0 | Rat | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 462 | 5 | 1 | 3 | 6.0 | Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(C)c1 | 10.1021/jm000108p | |||
| CHEMBL434654 | 168496 | None | 0 | Rat | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 462 | 5 | 1 | 3 | 6.0 | Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(C)c1 | 10.1021/jm000108p | |||
| 10762667 | 12820 | None | 0 | Rat | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 385 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL118829 | 12820 | None | 0 | Rat | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 385 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)c3ccccc32)cc1 | 10.1021/jm960133o | |||
| 10668163 | 13796 | None | 0 | Rat | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1 | 10.1021/jm960133o | |||
| CHEMBL119551 | 13796 | None | 0 | Rat | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1 | 10.1021/jm960133o | |||
| 10927276 | 110684 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 391 | 2 | 1 | 4 | 3.2 | O=C(OC1CCc2ccccc21)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm010878g | |||
| CHEMBL325674 | 110684 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 391 | 2 | 1 | 4 | 3.2 | O=C(OC1CCc2ccccc21)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm010878g | |||
| 44273425 | 98957 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 98957 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 152681 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 152681 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 104542 | None | 0 | Rat | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 455 | 3 | 1 | 3 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | |||
| CHEMBL310416 | 104542 | None | 0 | Rat | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 455 | 3 | 1 | 3 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | |||
| 44303524 | 102220 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 463 | 7 | 0 | 4 | 3.5 | CC(=O)N(C)CCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL302624 | 102220 | None | 0 | Rat | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 463 | 7 | 0 | 4 | 3.5 | CC(=O)N(C)CCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 10672170 | 207854 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | |||
| CHEMBL80029 | 207854 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | |||
| 118719825 | 115813 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 115813 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 14113 | None | 0 | Rat | Binding | pIC50 | = | 7.3 | 7.3 | - | 3 | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL119793 | 14113 | None | 0 | Rat | Binding | pIC50 | = | 7.3 | 7.3 | - | 3 | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 21837086 | 169553 | None | 0 | Rat | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 425 | 3 | 1 | 3 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL442743 | 169553 | None | 0 | Rat | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 425 | 3 | 1 | 3 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(03)00388-3 | |||
| 15307971 | 207015 | None | 0 | Rat | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 418 | 3 | 1 | 2 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL72945 | 207015 | None | 0 | Rat | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 418 | 3 | 1 | 2 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 10436379 | 74205 | None | 0 | Rat | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | 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 | 74205 | None | 0 | Rat | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | 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 | 144868 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 507 | 6 | 1 | 5 | 5.7 | O=c1n(Cc2cccc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | |||
| CHEMBL3909196 | 144868 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 507 | 6 | 1 | 5 | 5.7 | O=c1n(Cc2cccc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | |||
| CHEMBL129733 | 211141 | None | 0 | Rat | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | 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 | 104542 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 455 | 3 | 1 | 3 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | |||
| CHEMBL310416 | 104542 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 455 | 3 | 1 | 3 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | |||
| 22099567 | 101394 | None | 0 | Rat | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 457 | 3 | 1 | 4 | 5.6 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00278-4 | |||
| CHEMBL296814 | 101394 | None | 0 | Rat | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 457 | 3 | 1 | 4 | 5.6 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00278-4 | |||
| 44335241 | 168101 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | 168101 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | 73886 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | 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 | 73886 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | 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 | 164260 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 164260 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 102085 | None | 0 | Rat | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 102085 | None | 0 | Rat | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 103079 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 459 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(F)cc1Cl | 10.1021/jm980179c | |||
| CHEMBL306970 | 103079 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 459 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(F)cc1Cl | 10.1021/jm980179c | |||
| 69940338 | 150717 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 150717 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | |||
| 121301508 | 176323 | None | 5 | Human | Binding | pIC50 | = | 8.2 | 8.2 | -1 | 3 | ChEMBL | 542 | 7 | 2 | 9 | 3.6 | C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1 | 10.6019/CHEMBL5463729 | |||
| CHEMBL4594444 | 176323 | None | 5 | Human | Binding | pIC50 | = | 8.2 | 8.2 | -1 | 3 | ChEMBL | 542 | 7 | 2 | 9 | 3.6 | C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1 | 10.6019/CHEMBL5463729 | |||
| 71146879 | 146223 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 146223 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 151955 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | 151955 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | 78908 | None | 0 | Rat | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 78908 | None | 0 | Rat | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 98668 | None | 0 | Rat | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 98668 | None | 0 | Rat | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 151597 | None | 0 | Human | Binding | pIC50 | = | 4.2 | 4.2 | - | 0 | 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 | 151597 | None | 0 | Human | Binding | pIC50 | = | 4.2 | 4.2 | - | 0 | 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 | 203606 | None | 0 | Rat | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 364 | 3 | 0 | 3 | 3.3 | COc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL60323 | 203606 | None | 0 | Rat | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 364 | 3 | 0 | 3 | 3.3 | COc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 56848488 | 149643 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | 149643 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | 133629 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 427 | 4 | 0 | 4 | 5.5 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3cccs3)cc1)C2 | 10.1016/j.bmcl.2005.08.007 | |||
| CHEMBL371055 | 133629 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 427 | 4 | 0 | 4 | 5.5 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3cccs3)cc1)C2 | 10.1016/j.bmcl.2005.08.007 | |||
| 10762739 | 114447 | None | 0 | Rat | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 386 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL333135 | 114447 | None | 0 | Rat | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 386 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 14969525 | 203584 | None | 0 | Rat | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 350 | 2 | 1 | 3 | 3.0 | O=C(c1cccc(O)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL60312 | 203584 | None | 0 | Rat | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 350 | 2 | 1 | 3 | 3.0 | O=C(c1cccc(O)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 22405327 | 140363 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 409 | 3 | 0 | 4 | 5.3 | O=C(c1ccc(-c2ccccc2[N+](=O)[O-])cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | |||
| CHEMBL380579 | 140363 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 409 | 3 | 0 | 4 | 5.3 | O=C(c1ccc(-c2ccccc2[N+](=O)[O-])cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | |||
| 118720286 | 115924 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 115924 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 104952 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 509 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | |||
| CHEMBL311230 | 104952 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 509 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | |||
| 10548464 | 15388 | None | 0 | Rat | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc(Cl)c1 | 10.1021/jm960133o | |||
| CHEMBL121455 | 15388 | None | 0 | Rat | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc(Cl)c1 | 10.1021/jm960133o | |||
| 71450903 | 78909 | None | 0 | Rat | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 78909 | None | 0 | Rat | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 10031 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 443 | 3 | 1 | 6 | 3.1 | O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm010878g | |||
| CHEMBL115076 | 10031 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 443 | 3 | 1 | 6 | 3.1 | O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm010878g | |||
| 118719823 | 115811 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 115811 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 204588 | None | 0 | Rat | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 477 | 11 | 1 | 4 | 4.9 | NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL60905 | 204588 | None | 0 | Rat | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 477 | 11 | 1 | 4 | 4.9 | NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 44335386 | 108066 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | -14 | 2 | 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 | 108066 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | -14 | 2 | 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 | 78904 | None | 0 | Rat | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 78904 | None | 0 | Rat | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 108243 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 108243 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 168234 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 168234 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 145281 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 145281 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 101775 | None | 0 | Rat | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 486 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1Br | 10.1016/s0960-894x(99)00279-6 | |||
| CHEMBL299532 | 101775 | None | 0 | Rat | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 486 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1Br | 10.1016/s0960-894x(99)00279-6 | |||
| 10837633 | 103079 | None | 0 | Rat | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 103079 | None | 0 | Rat | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | 88599 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 437 | 4 | 2 | 4 | 2.8 | Cc1ccc(C(=O)N2CC3CNCC(C2)O3)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm700949w | |||
| CHEMBL235393 | 88599 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 437 | 4 | 2 | 4 | 2.8 | Cc1ccc(C(=O)N2CC3CNCC(C2)O3)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm700949w | |||
| 44434716 | 148481 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | 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 | 148481 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | 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 | 110474 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 413 | 4 | 2 | 3 | 4.9 | CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| CHEMBL324488 | 110474 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 413 | 4 | 2 | 3 | 4.9 | CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| 9871426 | 117075 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 117075 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 115831 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 115831 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 211702 | None | 0 | Rat | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | 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 | 108655 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 108655 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 115910 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 115910 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 3144 | None | 18 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | |||||
| 6918468 | 3144 | None | 18 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | |||||
| CHEMBL41547 | 3144 | None | 18 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | |||||
| CHEMBL2371928 | 212613 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 211365 | None | 0 | Rat | Binding | pIC50 | = | 5.1 | 5.1 | - | 2 | 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 | 113548 | None | 9 | Rat | Binding | pIC50 | = | 4.1 | 4.1 | - | 0 | ChEMBL | 294 | 2 | 1 | 2 | 3.2 | CC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL331956 | 113548 | None | 9 | Rat | Binding | pIC50 | = | 4.1 | 4.1 | - | 0 | ChEMBL | 294 | 2 | 1 | 2 | 3.2 | CC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 14969544 | 102717 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 407 | 6 | 1 | 4 | 3.0 | NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL304486 | 102717 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 407 | 6 | 1 | 4 | 3.0 | NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL2112250 | 211696 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 113867 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 385 | 3 | 2 | 2 | 5.3 | O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL332450 | 113867 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 385 | 3 | 2 | 2 | 5.3 | O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 10595449 | 10519 | None | 0 | Rat | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 372 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOc3ccccc32)cc1 | 10.1021/jm960133o | |||
| CHEMBL116820 | 10519 | None | 0 | Rat | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 372 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOc3ccccc32)cc1 | 10.1021/jm960133o | |||
| 3537 | 4004 | None | 22 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -9 | 3 | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2005.10.107 | |||
| 5311500 | 4004 | None | 22 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -9 | 3 | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2005.10.107 | |||
| CHEMBL363910 | 4004 | None | 22 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -9 | 3 | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2005.10.107 | |||
| 3537 | 4004 | None | 22 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -9 | 3 | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2007.08.053 | |||
| 5311500 | 4004 | None | 22 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -9 | 3 | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2007.08.053 | |||
| CHEMBL363910 | 4004 | None | 22 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -9 | 3 | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2007.08.053 | |||
| 44428425 | 142194 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 142194 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 205679 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 463 | 8 | 1 | 4 | 3.6 | CCC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| CHEMBL64436 | 205679 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 463 | 8 | 1 | 4 | 3.6 | CCC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | |||
| 10548205 | 12712 | None | 0 | Rat | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 386 | 3 | 1 | 3 | 5.3 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)Oc1ccccc1 | 10.1021/jm960133o | |||
| CHEMBL118760 | 12712 | None | 0 | Rat | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 386 | 3 | 1 | 3 | 5.3 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)Oc1ccccc1 | 10.1021/jm960133o | |||
| 9829108 | 5238 | None | 1 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 5238 | None | 1 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 5384 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 5384 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 148028 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 148028 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 151934 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 151934 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 169011 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 169011 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 4693 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 4693 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 187450 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 438 | 3 | 1 | 3 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(99)00278-4 | |||
| CHEMBL49322 | 187450 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 438 | 3 | 1 | 3 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(99)00278-4 | |||
| 69940428 | 149959 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 149959 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 214067 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 2 | 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 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 7.1 | 7.1 | - | 2 | 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 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 7.1 | 7.1 | - | 2 | 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 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 7.1 | 7.1 | - | 2 | 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 | 2332 | None | 49 | Rat | Binding | pIC50 | = | 7.1 | 7.1 | - | 2 | 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 | 101894 | None | 0 | Rat | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 101894 | None | 0 | Rat | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 53197 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 53197 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 142542 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 473 | 7 | 0 | 6 | 5.2 | C=CCn1c(-c2ccc(Cl)cc2)nn(Cc2cncn2Cc2c(Cl)cccc2Cl)c1=O | nan | |||
| CHEMBL3890193 | 142542 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 473 | 7 | 0 | 6 | 5.2 | C=CCn1c(-c2ccc(Cl)cc2)nn(Cc2cncn2Cc2c(Cl)cccc2Cl)c1=O | nan | |||
| 14969518 | 205142 | None | 0 | Rat | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 379 | 3 | 0 | 4 | 3.2 | O=C(c1ccccc1[N+](=O)[O-])N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL61578 | 205142 | None | 0 | Rat | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 379 | 3 | 0 | 4 | 3.2 | O=C(c1ccccc1[N+](=O)[O-])N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 14969515 | 205664 | None | 0 | Rat | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 348 | 2 | 0 | 2 | 3.6 | Cc1ccccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL64375 | 205664 | None | 0 | Rat | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 348 | 2 | 0 | 2 | 3.6 | Cc1ccccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 44428432 | 92073 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 92073 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 206925 | None | 0 | Rat | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 423 | 3 | 2 | 4 | 4.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1O | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL72342 | 206925 | None | 0 | Rat | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 423 | 3 | 2 | 4 | 4.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1O | 10.1016/s0960-894x(03)00388-3 | |||
| 22405331 | 135409 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 135409 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 119731 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 119731 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 73290 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 73290 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 148005 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 148005 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 72500 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 378 | 2 | 0 | 2 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/j.bmcl.2005.08.007 | |||
| CHEMBL198931 | 72500 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 378 | 2 | 0 | 2 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/j.bmcl.2005.08.007 | |||
| 118719837 | 115825 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 115825 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 13434 | None | 2 | Rat | Binding | pIC50 | = | 4.1 | 4.1 | - | 0 | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1ccccc1C(=O)N1CCCc2ccccc21)c1ccccc1 | 10.1021/jm960133o | |||
| CHEMBL119291 | 13434 | None | 2 | Rat | Binding | pIC50 | = | 4.1 | 4.1 | - | 0 | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1ccccc1C(=O)N1CCCc2ccccc21)c1ccccc1 | 10.1021/jm960133o | |||
| 69940642 | 151868 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 151868 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 12457 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 441 | 6 | 2 | 3 | 5.7 | CCCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| CHEMBL118609 | 12457 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 441 | 6 | 2 | 3 | 5.7 | CCCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| 71449109 | 78910 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 78910 | None | 0 | Rat | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 177123 | None | 0 | Rat | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 440 | 3 | 1 | 4 | 4.8 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | |||
| CHEMBL46295 | 177123 | None | 0 | Rat | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 440 | 3 | 1 | 4 | 4.8 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | |||
| 23598641 | 94330 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 94330 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 102588 | None | 0 | Rat | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 453 | 4 | 1 | 4 | 5.7 | CSc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL304060 | 102588 | None | 0 | Rat | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 453 | 4 | 1 | 4 | 5.7 | CSc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 18917508 | 188189 | None | 0 | Rat | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | 188189 | None | 0 | Rat | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | 146287 | None | 0 | Human | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 490 | 6 | 0 | 6 | 5.8 | O=c1n(Cc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nc(-c2ccc(Cl)cc2)n1C1CC1 | nan | |||
| CHEMBL3920097 | 146287 | None | 0 | Human | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 490 | 6 | 0 | 6 | 5.8 | O=c1n(Cc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nc(-c2ccc(Cl)cc2)n1C1CC1 | nan | |||
| 67412584 | 150865 | None | 0 | Human | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | 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 | 150865 | None | 0 | Human | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | 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 | 102278 | None | 0 | Rat | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | 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 | 102278 | None | 0 | Rat | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | 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 | 13941 | None | 0 | Rat | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 424 | 3 | 1 | 2 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)cc(Cl)c1 | 10.1021/jm960133o | |||
| CHEMBL119651 | 13941 | None | 0 | Rat | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 424 | 3 | 1 | 2 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)cc(Cl)c1 | 10.1021/jm960133o | |||
| 44272990 | 99660 | None | 0 | Rat | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | 99660 | None | 0 | Rat | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | 114489 | None | 0 | Rat | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 370 | 3 | 1 | 2 | 4.9 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 | 10.1021/jm960133o | |||
| CHEMBL333201 | 114489 | None | 0 | Rat | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 370 | 3 | 1 | 2 | 4.9 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 | 10.1021/jm960133o | |||
| 44352783 | 116845 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | 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 | 116845 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | 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 | 115826 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | 115826 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | 71745 | None | 0 | Rat | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | 71745 | None | 0 | Rat | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | 103730 | None | 0 | Rat | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 432 | 3 | 1 | 2 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| CHEMBL308741 | 103730 | None | 0 | Rat | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 432 | 3 | 1 | 2 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | |||
| 10743970 | 113128 | None | 0 | Rat | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 499 | 7 | 1 | 5 | 5.2 | CCOC(=O)CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| CHEMBL331173 | 113128 | None | 0 | Rat | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 499 | 7 | 1 | 5 | 5.2 | CCOC(=O)CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | |||
| 18917554 | 189930 | None | 0 | Rat | Binding | pIC50 | = | 7 | 7.0 | - | 0 | 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 | 189930 | None | 0 | Rat | Binding | pIC50 | = | 7 | 7.0 | - | 0 | 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 | 115902 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 115902 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 77135 | None | 0 | Rat | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 77135 | None | 0 | Rat | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 100860 | None | 0 | Rat | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1ccccc1Cl)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| CHEMBL293177 | 100860 | None | 0 | Rat | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1ccccc1Cl)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | |||
| 44297517 | 155816 | None | 0 | Rat | Binding | pKd | = | 10.4 | 10.4 | 28 | 3 | 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 | 155816 | None | 0 | Rat | Binding | pKd | = | 10.4 | 10.4 | 28 | 3 | 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 | 96862 | None | 0 | Rat | Binding | pKd | = | 10.3 | 10.3 | 10 | 3 | 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 | 96862 | None | 0 | Rat | Binding | pKd | = | 10.3 | 10.3 | 10 | 3 | 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 | 161385 | None | 0 | Rat | Binding | pKd | = | 9.8 | 9.8 | 22 | 3 | 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 | 161385 | None | 0 | Rat | Binding | pKd | = | 9.8 | 9.8 | 22 | 3 | 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 | 79723 | None | 0 | Rat | Binding | pKd | = | 9.7 | 9.7 | 257 | 2 | 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 | 79723 | None | 0 | Rat | Binding | pKd | = | 9.7 | 9.7 | 257 | 2 | 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 | 79723 | None | 0 | Rat | Binding | pKd | = | 9.7 | 9.7 | 257 | 2 | 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 | 79723 | None | 0 | Rat | Binding | pKd | = | 9.7 | 9.7 | 257 | 2 | 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 | 79721 | None | 0 | Rat | Binding | pKd | = | 9.7 | 9.7 | - | 1 | 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 | 79721 | None | 0 | Rat | Binding | pKd | = | 9.7 | 9.7 | - | 1 | 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 | 165952 | None | 0 | Rat | Binding | pKd | = | 9.7 | 9.7 | 7 | 3 | 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 | 165952 | None | 0 | Rat | Binding | pKd | = | 9.7 | 9.7 | 7 | 3 | 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 | 79721 | None | 0 | Rat | Binding | pKd | = | 9.7 | 9.7 | - | 1 | 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 | 79721 | None | 0 | Rat | Binding | pKd | = | 9.7 | 9.7 | - | 1 | 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 | 79723 | None | 0 | Rat | Binding | pKd | = | 9.6 | 9.6 | 257 | 2 | 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 | 79723 | None | 0 | Rat | Binding | pKd | = | 9.6 | 9.6 | 257 | 2 | 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 | 79723 | None | 0 | Rat | Binding | pKd | = | 9.6 | 9.6 | 257 | 2 | 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 | 79723 | None | 0 | Rat | Binding | pKd | = | 9.6 | 9.6 | 257 | 2 | 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 | 166588 | None | 0 | Human | Binding | pKd | = | 9.5 | 9.5 | - | 1 | 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 | 166588 | None | 0 | Human | Binding | pKd | = | 9.5 | 9.5 | - | 1 | 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 | 74545 | None | 0 | Rat | Binding | pKd | = | 9.5 | 9.5 | - | 1 | 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 | 74545 | None | 0 | Rat | Binding | pKd | = | 9.5 | 9.5 | - | 1 | 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 | 74545 | None | 0 | Rat | Binding | pKd | = | 9.5 | 9.5 | - | 1 | 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 | 74545 | None | 0 | Rat | Binding | pKd | = | 9.5 | 9.5 | - | 1 | 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 | 167189 | None | 0 | Human | Binding | pKd | = | 9.4 | 9.4 | - | 1 | 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 | 167189 | None | 0 | Human | Binding | pKd | = | 9.4 | 9.4 | - | 1 | 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 | 79720 | None | 0 | Rat | Binding | pKd | = | 9.3 | 9.3 | 123 | 2 | 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 | 79720 | None | 0 | Rat | Binding | pKd | = | 9.3 | 9.3 | 123 | 2 | 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 | 79720 | None | 0 | Rat | Binding | pKd | = | 9.3 | 9.3 | 123 | 2 | 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 | 79720 | None | 0 | Rat | Binding | pKd | = | 9.3 | 9.3 | 123 | 2 | 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 | 167476 | None | 0 | Human | Binding | pKd | = | 9.2 | 9.2 | - | 1 | 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 | 167476 | None | 0 | Human | Binding | pKd | = | 9.2 | 9.2 | - | 1 | 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 | 79720 | None | 0 | Rat | Binding | pKd | = | 9.2 | 9.2 | 123 | 2 | 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 | 79720 | None | 0 | Rat | Binding | pKd | = | 9.2 | 9.2 | 123 | 2 | 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 | 79720 | None | 0 | Rat | Binding | pKd | = | 9.2 | 9.2 | 123 | 2 | 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 | 79720 | None | 0 | Rat | Binding | pKd | = | 9.2 | 9.2 | 123 | 2 | 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 | 3976 | None | 29 | Rat | Binding | pKd | = | 9.2 | 9.2 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | |||||
| 2810 | 3976 | None | 29 | Rat | Binding | pKd | = | 9.2 | 9.2 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | |||||
| 644077 | 3976 | None | 29 | Rat | Binding | pKd | = | 9.2 | 9.2 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | |||||
| 644077.0 | 3976 | None | 29 | Rat | Binding | pKd | = | 9.2 | 9.2 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | |||||
| CHEMBL373742 | 3976 | None | 29 | Rat | Binding | pKd | = | 9.2 | 9.2 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | |||||
| DB00067 | 3976 | None | 29 | Rat | Binding | pKd | = | 9.2 | 9.2 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | |||||
| 2168 | 3976 | None | 29 | Rat | Binding | pKd | = | 9.2 | 9.2 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | |||||
| 2810 | 3976 | None | 29 | Rat | Binding | pKd | = | 9.2 | 9.2 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | |||||
| 644077 | 3976 | None | 29 | Rat | Binding | pKd | = | 9.2 | 9.2 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | |||||
| 644077.0 | 3976 | None | 29 | Rat | Binding | pKd | = | 9.2 | 9.2 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | |||||
| CHEMBL373742 | 3976 | None | 29 | Rat | Binding | pKd | = | 9.2 | 9.2 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | |||||
| DB00067 | 3976 | None | 29 | Rat | Binding | pKd | = | 9.2 | 9.2 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm00079a020 | |||||
| 70689895 | 74545 | None | 0 | Rat | Binding | pKd | = | 9.0 | 9.0 | - | 1 | 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 | 74545 | None | 0 | Rat | Binding | pKd | = | 9.0 | 9.0 | - | 1 | 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 | 74545 | None | 0 | Rat | Binding | pKd | = | 9.0 | 9.0 | - | 1 | 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 | 74545 | None | 0 | Rat | Binding | pKd | = | 9.0 | 9.0 | - | 1 | 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 | 167476 | None | 0 | Human | Binding | pKd | = | 9 | 9.0 | - | 1 | 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 | 167476 | None | 0 | Human | Binding | pKd | = | 9 | 9.0 | - | 1 | 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 | 79722 | None | 0 | Rat | Binding | pKd | = | 8.8 | 8.8 | - | 1 | 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 | 79722 | None | 0 | Rat | Binding | pKd | = | 8.8 | 8.8 | - | 1 | 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 | 79722 | None | 0 | Rat | Binding | pKd | = | 8.8 | 8.8 | - | 1 | 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 | 79722 | None | 0 | Rat | Binding | pKd | = | 8.8 | 8.8 | - | 1 | 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 | 79722 | None | 0 | Rat | Binding | pKd | = | 8.7 | 8.7 | - | 1 | 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 | 79722 | None | 0 | Rat | Binding | pKd | = | 8.7 | 8.7 | - | 1 | 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 | 79722 | None | 0 | Rat | Binding | pKd | = | 8.7 | 8.7 | - | 1 | 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 | 79722 | None | 0 | Rat | Binding | pKd | = | 8.7 | 8.7 | - | 1 | 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 | 115451 | None | 11 | Rat | Binding | pKd | = | 8.0 | 8.0 | -1 | 2 | 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 | 115451 | None | 11 | Rat | Binding | pKd | = | 8.0 | 8.0 | -1 | 2 | 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 | 115454 | None | 0 | Rat | Binding | pKd | = | 7.9 | 7.9 | 1 | 3 | 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 | 115454 | None | 0 | Rat | Binding | pKd | = | 7.9 | 7.9 | 1 | 3 | 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 | 115410 | None | 0 | Rat | Binding | pKd | = | 6.8 | 6.8 | -7 | 3 | 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 | 115410 | None | 0 | Rat | Binding | pKd | = | 6.8 | 6.8 | -7 | 3 | 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 | 212703 | None | 0 | Rat | Binding | pKd | = | 7.8 | 7.8 | - | 1 | 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 | 212703 | None | 0 | Rat | Binding | pKd | = | 7.8 | 7.8 | - | 1 | 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 | 118657 | None | 0 | Human | Binding | pKd | = | 7.7 | 7.7 | -14 | 3 | 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 | 118657 | None | 0 | Human | Binding | pKd | = | 7.7 | 7.7 | -14 | 3 | 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 | 115453 | None | 0 | Rat | Binding | pKd | = | 8.6 | 8.6 | 8 | 2 | 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 | 115453 | None | 0 | Rat | Binding | pKd | = | 8.6 | 8.6 | 8 | 2 | 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 | 212697 | None | 0 | Rat | Binding | pKd | = | 8.6 | 8.6 | - | 1 | 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 | 212697 | None | 0 | Rat | Binding | pKd | = | 8.6 | 8.6 | - | 1 | 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 | 79721 | None | 0 | Rat | Binding | pKd | = | 8.6 | 8.6 | - | 1 | 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 | 79721 | None | 0 | Rat | Binding | pKd | = | 8.6 | 8.6 | - | 1 | 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 | 79721 | None | 0 | Rat | Binding | pKd | = | 8.6 | 8.6 | - | 1 | 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 | 79721 | None | 0 | Rat | Binding | pKd | = | 8.6 | 8.6 | - | 1 | 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 | 212701 | None | 0 | Rat | Binding | pKd | = | 7.6 | 7.6 | - | 1 | 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 | 212701 | None | 0 | Rat | Binding | pKd | = | 7.6 | 7.6 | - | 1 | 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 | 115450 | None | 0 | Rat | Binding | pKd | = | 7.6 | 7.6 | -1 | 2 | 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 | 115450 | None | 0 | Rat | Binding | pKd | = | 7.6 | 7.6 | -1 | 2 | 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 | 115456 | None | 0 | Rat | Binding | pKd | = | 7.6 | 7.6 | -1 | 3 | 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 | 115456 | None | 0 | Rat | Binding | pKd | = | 7.6 | 7.6 | -1 | 3 | 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 | 115412 | None | 0 | Rat | Binding | pKd | = | 6.6 | 6.6 | -12 | 3 | 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 | 115412 | None | 0 | Rat | Binding | pKd | = | 6.6 | 6.6 | -12 | 3 | 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 | 115449 | None | 0 | Rat | Binding | pKd | = | 7.5 | 7.5 | -2 | 2 | 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 | 115449 | None | 0 | Rat | Binding | pKd | = | 7.5 | 7.5 | -2 | 2 | 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 | 212696 | None | 0 | Rat | Binding | pKd | = | 8.5 | 8.5 | - | 1 | 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 | 212696 | None | 0 | Rat | Binding | pKd | = | 8.5 | 8.5 | - | 1 | 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 | 115409 | None | 0 | Rat | Binding | pKd | = | 6.5 | 6.5 | -16 | 3 | 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 | 115409 | None | 0 | Rat | Binding | pKd | = | 6.5 | 6.5 | -16 | 3 | 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 | 212702 | None | 0 | Rat | Binding | pKd | = | 7.5 | 7.5 | - | 1 | 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 | 212702 | None | 0 | Rat | Binding | pKd | = | 7.5 | 7.5 | - | 1 | 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 | 115413 | None | 1 | Rat | Binding | pKd | = | 6.5 | 6.5 | -38 | 3 | 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 | 115413 | None | 1 | Rat | Binding | pKd | = | 6.5 | 6.5 | -38 | 3 | 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 | 212695 | None | 0 | Rat | Binding | pKd | = | 7.5 | 7.5 | - | 1 | 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 | 212695 | None | 0 | Rat | Binding | pKd | = | 7.5 | 7.5 | - | 1 | 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 | 115411 | None | 0 | Rat | Binding | pKd | = | 5.4 | 5.4 | -251 | 2 | 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 | 115411 | None | 0 | Rat | Binding | pKd | = | 5.4 | 5.4 | -251 | 2 | 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 | 212700 | None | 0 | Rat | Binding | pKd | = | 8.3 | 8.3 | - | 1 | 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 | 212698 | None | 0 | Rat | Binding | pKd | = | 7.4 | 7.4 | - | 1 | 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 | 212698 | None | 0 | Rat | Binding | pKd | = | 7.4 | 7.4 | - | 1 | 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 | 212700 | None | 0 | Rat | Binding | pKd | = | 8.3 | 8.3 | - | 1 | 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 | 212699 | None | 0 | Rat | Binding | pKd | = | 7.3 | 7.3 | - | 1 | 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 | 212699 | None | 0 | Rat | Binding | pKd | = | 7.3 | 7.3 | - | 1 | 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 | 115457 | None | 0 | Rat | Binding | pKd | = | 7.3 | 7.3 | -1 | 3 | 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 | 115457 | None | 0 | Rat | Binding | pKd | = | 7.3 | 7.3 | -1 | 3 | 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 | 212346 | None | 0 | Rat | Binding | pKd | = | 8.2 | 8.2 | -1 | 3 | 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 | 212431 | None | 10 | Rat | Binding | pKd | = | 8.2 | 8.2 | 2 | 3 | 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 | 118656 | None | 0 | Human | Binding | pKd | = | 7.2 | 7.2 | -35 | 3 | 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 | 118656 | None | 0 | Human | Binding | pKd | = | 7.2 | 7.2 | -35 | 3 | 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 | 115455 | None | 0 | Rat | Binding | pKd | = | 7.2 | 7.2 | -1 | 3 | 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 | 115455 | None | 0 | Rat | Binding | pKd | = | 7.2 | 7.2 | -1 | 3 | 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 | 74546 | None | 0 | Rat | Binding | pKd | = | 7.1 | 7.1 | - | 1 | 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 | 74546 | None | 0 | Rat | Binding | pKd | = | 7.1 | 7.1 | - | 1 | 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 | 74546 | None | 0 | Rat | Binding | pKd | = | 7.1 | 7.1 | - | 1 | 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 | 74546 | None | 0 | Rat | Binding | pKd | = | 7.1 | 7.1 | - | 1 | 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 | 97065 | None | 0 | Rat | Binding | pKd | = | 8.1 | 8.1 | -1 | 3 | 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 | 97065 | None | 0 | Rat | Binding | pKd | = | 8.1 | 8.1 | -1 | 3 | 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 | 115452 | None | 0 | Rat | Binding | pKd | = | 8.1 | 8.1 | 1 | 3 | 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 | 115452 | None | 0 | Rat | Binding | pKd | = | 8.1 | 8.1 | 1 | 3 | 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 | 115414 | None | 0 | Rat | Binding | pKd | = | 7.0 | 7.0 | -8 | 2 | 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 | 115414 | None | 0 | Rat | Binding | pKd | = | 7.0 | 7.0 | -8 | 2 | 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 | 149541 | None | 0 | Human | Binding | pKi | = | 10.5 | 10.5 | - | 1 | 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 | 149541 | None | 0 | Human | Binding | pKi | = | 10.5 | 10.5 | - | 1 | 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 | 149541 | None | 0 | Human | Binding | pKi | = | 10.4 | 10.4 | - | 1 | 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 | 149541 | None | 0 | Human | Binding | pKi | = | 10.4 | 10.4 | - | 1 | 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 | 64077 | None | 0 | Human | Binding | pKi | = | 10.4 | 10.4 | 37 | 2 | 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 | 64077 | None | 0 | Human | Binding | pKi | = | 10.4 | 10.4 | 37 | 2 | 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 | 64072 | None | 0 | Human | Binding | pKi | = | 10.4 | 10.4 | 42 | 2 | 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 | 64072 | None | 0 | Human | Binding | pKi | = | 10.4 | 10.4 | 42 | 2 | 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 | 155816 | None | 0 | Rat | Binding | pKi | = | 10.4 | 10.4 | 28 | 3 | 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 | 155816 | None | 0 | Rat | Binding | pKi | = | 10.4 | 10.4 | 28 | 3 | 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 | 6588 | None | 0 | Human | Binding | pKi | = | 10.3 | 10.3 | 4073 | 2 | 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 | 6588 | None | 0 | Human | Binding | pKi | = | 10.3 | 10.3 | 4073 | 2 | 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 | 7032 | None | 0 | Human | Binding | pKi | = | 10.2 | 10.2 | 7943 | 2 | 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 | 7032 | None | 0 | Human | Binding | pKi | = | 10.2 | 10.2 | 7943 | 2 | 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 | 195356 | None | 0 | Human | Binding | pKi | = | 10.2 | 10.2 | 16 | 4 | 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 | 195356 | None | 0 | Human | Binding | pKi | = | 10.2 | 10.2 | 16 | 4 | 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 | 195356 | None | 0 | Human | Binding | pKi | = | 10.2 | 10.2 | 16 | 4 | 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 | 97340 | None | 0 | Human | Binding | pKi | = | 10.1 | 10.1 | 33 | 4 | 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 | 97340 | None | 0 | Human | Binding | pKi | = | 10.1 | 10.1 | 33 | 4 | 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 | 10319 | None | 0 | Human | Binding | pKi | = | 10.1 | 10.1 | 11 | 3 | 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 | 10319 | None | 0 | Human | Binding | pKi | = | 10.1 | 10.1 | 11 | 3 | 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 | 10319 | None | 0 | Human | Binding | pKi | = | 10.1 | 10.1 | 11 | 3 | 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 | 64075 | None | 0 | Human | Binding | pKi | = | 10.0 | 10.0 | 21 | 2 | 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 | 64075 | None | 0 | Human | Binding | pKi | = | 10.0 | 10.0 | 21 | 2 | 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 | 6839 | None | 0 | Human | Binding | pKi | = | 10 | 10.0 | 6025 | 2 | 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 | 6839 | None | 0 | Human | Binding | pKi | = | 10 | 10.0 | 6025 | 2 | 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 | 104848 | None | 0 | Rat | Binding | pKi | = | 10.0 | 10.0 | 331 | 2 | 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 | 104848 | None | 0 | Rat | Binding | pKi | = | 10.0 | 10.0 | 331 | 2 | 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 | 165952 | None | 0 | Rat | Binding | pKi | = | 10.0 | 10.0 | 7 | 3 | 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 | 165952 | None | 0 | Rat | Binding | pKi | = | 10.0 | 10.0 | 7 | 3 | 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 | 161385 | None | 0 | Rat | Binding | pKi | = | 9.9 | 9.9 | 22 | 3 | 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 | 161385 | None | 0 | Rat | Binding | pKi | = | 9.9 | 9.9 | 22 | 3 | 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 | 96862 | None | 0 | Rat | Binding | pKi | = | 9.9 | 9.9 | 10 | 3 | 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 | 96862 | None | 0 | Rat | Binding | pKi | = | 9.9 | 9.9 | 10 | 3 | 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 | 518 | None | 30 | Human | Binding | pKi | = | 9.8 | 9.8 | 28 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | |||||
| 3008 | 518 | None | 30 | Human | Binding | pKi | = | 9.8 | 9.8 | 28 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | |||||
| 5311010 | 518 | None | 30 | Human | Binding | pKi | = | 9.8 | 9.8 | 28 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | |||||
| 5311010.0 | 518 | None | 30 | Human | Binding | pKi | = | 9.8 | 9.8 | 28 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | |||||
| 68613 | 518 | None | 30 | Human | Binding | pKi | = | 9.8 | 9.8 | 28 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | |||||
| 68613.0 | 518 | None | 30 | Human | Binding | pKi | = | 9.8 | 9.8 | 28 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | |||||
| CHEMBL378642 | 518 | None | 30 | Human | Binding | pKi | = | 9.8 | 9.8 | 28 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | |||||
| CHEMBL382301 | 518 | None | 30 | Human | Binding | pKi | = | 9.8 | 9.8 | 28 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | |||||
| DB09059 | 518 | None | 30 | Human | Binding | pKi | = | 9.8 | 9.8 | 28 | 5 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | |||||
| 2205 | 4123 | None | 6 | Rat | Binding | pKi | = | 9.8 | 9.8 | 1 | 5 | 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 | 4123 | None | 6 | Rat | Binding | pKi | = | 9.8 | 9.8 | 1 | 5 | 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 | 4123 | None | 6 | Rat | Binding | pKi | = | 9.8 | 9.8 | 1 | 5 | 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 | 96862 | None | 0 | Rat | Binding | pKi | = | 9.8 | 9.8 | 10 | 3 | 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 | 96862 | None | 0 | Rat | Binding | pKi | = | 9.8 | 9.8 | 10 | 3 | 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 | 161387 | None | 0 | Human | Binding | pKi | = | 9.8 | 9.8 | 9 | 4 | 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 | 161387 | None | 0 | Human | Binding | pKi | = | 9.8 | 9.8 | 9 | 4 | 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 | 161387 | None | 0 | Human | Binding | pKi | = | 9.8 | 9.8 | 9 | 4 | 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 | 167830 | None | 0 | Human | Binding | pKi | = | 9.8 | 9.8 | - | 1 | 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 | 167830 | None | 0 | Human | Binding | pKi | = | 9.8 | 9.8 | - | 1 | 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 | 167830 | None | 0 | Human | Binding | pKi | = | 9.8 | 9.8 | - | 1 | 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 | 159903 | None | 0 | Rat | Binding | pKi | = | 9.7 | 9.7 | - | 1 | 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 | 159903 | None | 0 | Rat | Binding | pKi | = | 9.7 | 9.7 | - | 1 | 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 | 155816 | None | 0 | Rat | Binding | pKi | = | 9.7 | 9.7 | 28 | 3 | 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 | 155816 | None | 0 | Rat | Binding | pKi | = | 9.7 | 9.7 | 28 | 3 | 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 | 64071 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | 44 | 2 | 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 | 64071 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | 44 | 2 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.7 | 9.7 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.7 | 9.7 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.7 | 9.7 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.7 | 9.7 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.7 | 9.7 | 1 | 6 | 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 | 152659 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | - | 1 | 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 | 152659 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | - | 1 | 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 | 166772 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | - | 1 | 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 | 166772 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | - | 1 | 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 | 165952 | None | 0 | Rat | Binding | pKi | = | 9.7 | 9.7 | 7 | 3 | 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 | 165952 | None | 0 | Rat | Binding | pKi | = | 9.7 | 9.7 | 7 | 3 | 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 | 161385 | None | 0 | Rat | Binding | pKi | = | 9.7 | 9.7 | 22 | 3 | 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 | 161385 | None | 0 | Rat | Binding | pKi | = | 9.7 | 9.7 | 22 | 3 | 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 | 64087 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | 28 | 2 | 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 | 64087 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | 28 | 2 | 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 | 149541 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | - | 1 | 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 | 149541 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | - | 1 | 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 | 149541 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | - | 1 | 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 | 149541 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | - | 1 | 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 | 167531 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | - | 1 | 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 | 167531 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | - | 1 | 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 | 167531 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | - | 1 | 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 | 61930 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | 93 | 2 | 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 | 61930 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | 93 | 2 | 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 | 61930 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | 93 | 2 | 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 | 61930 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | 93 | 2 | 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 | 64078 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | 9 | 3 | 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 | 64078 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | 9 | 3 | 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 | 169363 | None | 0 | Rat | Binding | pKi | = | 9.6 | 9.6 | 1 | 3 | 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 | 169363 | None | 0 | Rat | Binding | pKi | = | 9.6 | 9.6 | 1 | 3 | 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 | 64076 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | 19 | 2 | 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 | 64076 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | 19 | 2 | 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 | 3976 | None | 29 | Human | Binding | pKi | = | 9.6 | 9.6 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 2810 | 3976 | None | 29 | Human | Binding | pKi | = | 9.6 | 9.6 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077 | 3976 | None | 29 | Human | Binding | pKi | = | 9.6 | 9.6 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077.0 | 3976 | None | 29 | Human | Binding | pKi | = | 9.6 | 9.6 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Binding | pKi | = | 9.6 | 9.6 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| DB00067 | 3976 | None | 29 | Human | Binding | pKi | = | 9.6 | 9.6 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 44428516 | 161263 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | - | 1 | 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 | 161263 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | - | 1 | 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 | 96862 | None | 0 | Rat | Binding | pKi | = | 9.6 | 9.6 | 10 | 3 | 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 | 96862 | None | 0 | Rat | Binding | pKi | = | 9.6 | 9.6 | 10 | 3 | 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 | 149541 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | - | 1 | 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 | 149541 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | - | 1 | 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 | 151051 | None | 21 | Human | Binding | pKi | = | 9.5 | 9.5 | - | 1 | 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 | 151051 | None | 21 | Human | Binding | pKi | = | 9.5 | 9.5 | - | 1 | 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 | 4117 | None | 6 | Human | Binding | pKi | = | 9.5 | 9.5 | 229 | 4 | 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 | 4117 | None | 6 | Human | Binding | pKi | = | 9.5 | 9.5 | 229 | 4 | 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 | 4117 | None | 6 | Human | Binding | pKi | = | 9.5 | 9.5 | 229 | 4 | 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 | 216714 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | 660 | 2 | 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 | 216717 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | 1548 | 2 | ChEMBL | None | None | None | OC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | |||||
| CHEMBL5074709 | 216815 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | 2951 | 2 | 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 | 7353 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | 173 | 2 | 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 | 7353 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | 173 | 2 | 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 | 169363 | None | 0 | Rat | Binding | pKi | = | 9.5 | 9.5 | 1 | 3 | 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 | 169363 | None | 0 | Rat | Binding | pKi | = | 9.5 | 9.5 | 1 | 3 | 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 | 3976 | None | 29 | Human | Binding | pKi | = | 9.5 | 9.5 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 2810 | 3976 | None | 29 | Human | Binding | pKi | = | 9.5 | 9.5 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077 | 3976 | None | 29 | Human | Binding | pKi | = | 9.5 | 9.5 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077.0 | 3976 | None | 29 | Human | Binding | pKi | = | 9.5 | 9.5 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Binding | pKi | = | 9.5 | 9.5 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| DB00067 | 3976 | None | 29 | Human | Binding | pKi | = | 9.5 | 9.5 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 46890612 | 6906 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | 81 | 2 | 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 | 6906 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | 81 | 2 | 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 | 64083 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | - | 1 | 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 | 64083 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | - | 1 | 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 | 160562 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | - | 1 | 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 | 160562 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | - | 1 | 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 | 212330 | None | 21 | Human | Binding | pKi | = | 9.4 | 9.4 | - | 1 | 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 | 217231 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | 2691 | 2 | ChEMBL | None | None | None | Cc1ccc2c(c1)CC(O)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c00863 | |||||
| 145986380 | 167189 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | - | 1 | 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 | 167189 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | - | 1 | 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 | 152669 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | - | 1 | 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 | 152669 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | - | 1 | 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 | 1164 | None | 41 | Human | Binding | pKi | = | 9.4 | 9.4 | -3 | 6 | 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 | |||
| 151171.0 | 1164 | None | 41 | Human | Binding | pKi | = | 9.4 | 9.4 | -3 | 6 | 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 | 1164 | None | 41 | Human | Binding | pKi | = | 9.4 | 9.4 | -3 | 6 | 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 | 1164 | None | 41 | Human | Binding | pKi | = | 9.4 | 9.4 | -3 | 6 | 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 | 1164 | None | 41 | Human | Binding | pKi | = | 9.4 | 9.4 | -3 | 6 | 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 | 1164 | None | 41 | Human | Binding | pKi | = | 9.4 | 9.4 | -3 | 6 | 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 | 1164 | None | 41 | Human | Binding | pKi | = | 9.4 | 9.4 | -3 | 6 | 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 | 181112 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | - | 1 | ChEMBL | 369 | 2 | 0 | 5 | 3.5 | C#Cc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4759005 | 181112 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | - | 1 | ChEMBL | 369 | 2 | 0 | 5 | 3.5 | C#Cc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| 44428518 | 152390 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | - | 1 | 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 | 152390 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | - | 1 | 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 | 155816 | None | 0 | Rat | Binding | pKi | = | 9.3 | 9.3 | 28 | 3 | 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 | 155816 | None | 0 | Rat | Binding | pKi | = | 9.3 | 9.3 | 28 | 3 | 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 | 165952 | None | 0 | Rat | Binding | pKi | = | 9.3 | 9.3 | 7 | 3 | 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 | 165952 | None | 0 | Rat | Binding | pKi | = | 9.3 | 9.3 | 7 | 3 | 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 | 1164 | None | 41 | Rat | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | |||
| 151171.0 | 1164 | None | 41 | Rat | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 1164 | None | 41 | Rat | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 1164 | None | 41 | Rat | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 1164 | None | 41 | Rat | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 1164 | None | 41 | Rat | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 1164 | None | 41 | Rat | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 118726 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 28 | 2 | ChEMBL | 451 | 3 | 0 | 4 | 4.0 | CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | |||
| CHEMBL3416881 | 118726 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 28 | 2 | ChEMBL | 451 | 3 | 0 | 4 | 4.0 | CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | |||
| 121301508 | 176323 | None | 5 | Human | Binding | pKi | = | 9.3 | 9.3 | -1 | 3 | ChEMBL | 542 | 7 | 2 | 9 | 3.6 | C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1 | 10.6019/CHEMBL5463729 | |||
| CHEMBL4594444 | 176323 | None | 5 | Human | Binding | pKi | = | 9.3 | 9.3 | -1 | 3 | ChEMBL | 542 | 7 | 2 | 9 | 3.6 | C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1 | 10.6019/CHEMBL5463729 | |||
| 44428541 | 149898 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | - | 1 | 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 | 149898 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | - | 1 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 64073 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 26 | 2 | 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 | 64073 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 26 | 2 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 6 | 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 | 7034 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 199 | 2 | 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 | 7034 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 199 | 2 | 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 | 64064 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 21 | 2 | 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 | 64064 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 21 | 2 | 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 | 3976 | None | 29 | Human | Binding | pKi | = | 9.3 | 9.3 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 2810 | 3976 | None | 29 | Human | Binding | pKi | = | 9.3 | 9.3 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077 | 3976 | None | 29 | Human | Binding | pKi | = | 9.3 | 9.3 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077.0 | 3976 | None | 29 | Human | Binding | pKi | = | 9.3 | 9.3 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Binding | pKi | = | 9.3 | 9.3 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| DB00067 | 3976 | None | 29 | Human | Binding | pKi | = | 9.3 | 9.3 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 54586172 | 61931 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 7 | 2 | 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 | 61931 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 7 | 2 | 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 | 161385 | None | 0 | Rat | Binding | pKi | = | 9.2 | 9.2 | 22 | 3 | 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 | 161385 | None | 0 | Rat | Binding | pKi | = | 9.2 | 9.2 | 22 | 3 | 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 | 6738 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 6738 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 180852 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 180852 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 180873 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 180873 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 181913 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 181913 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 183589 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 183589 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 70222 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 1862 | 2 | 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 | 70222 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 1862 | 2 | 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 | 64061 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 95 | 2 | 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 | 64061 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 95 | 2 | 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 | 4123 | None | 6 | Human | Binding | pKi | = | 9.2 | 9.2 | -1 | 5 | 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 | 4123 | None | 6 | Human | Binding | pKi | = | 9.2 | 9.2 | -1 | 5 | 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 | 4123 | None | 6 | Human | Binding | pKi | = | 9.2 | 9.2 | -1 | 5 | 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 | 4123 | None | 6 | Rat | Binding | pKi | = | 9.2 | 9.2 | 1 | 5 | 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 | 4123 | None | 6 | Rat | Binding | pKi | = | 9.2 | 9.2 | 1 | 5 | 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 | 4123 | None | 6 | Rat | Binding | pKi | = | 9.2 | 9.2 | 1 | 5 | 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 | 518 | None | 30 | Human | Binding | pKi | = | 9.2 | 9.2 | 28 | 5 | ChEMBL | None | None | None | None | 10.1021/jm050645f | |||||
| 3008 | 518 | None | 30 | Human | Binding | pKi | = | 9.2 | 9.2 | 28 | 5 | ChEMBL | None | None | None | None | 10.1021/jm050645f | |||||
| 5311010 | 518 | None | 30 | Human | Binding | pKi | = | 9.2 | 9.2 | 28 | 5 | ChEMBL | None | None | None | None | 10.1021/jm050645f | |||||
| 5311010.0 | 518 | None | 30 | Human | Binding | pKi | = | 9.2 | 9.2 | 28 | 5 | ChEMBL | None | None | None | None | 10.1021/jm050645f | |||||
| 68613 | 518 | None | 30 | Human | Binding | pKi | = | 9.2 | 9.2 | 28 | 5 | ChEMBL | None | None | None | None | 10.1021/jm050645f | |||||
| 68613.0 | 518 | None | 30 | Human | Binding | pKi | = | 9.2 | 9.2 | 28 | 5 | ChEMBL | None | None | None | None | 10.1021/jm050645f | |||||
| CHEMBL378642 | 518 | None | 30 | Human | Binding | pKi | = | 9.2 | 9.2 | 28 | 5 | ChEMBL | None | None | None | None | 10.1021/jm050645f | |||||
| CHEMBL382301 | 518 | None | 30 | Human | Binding | pKi | = | 9.2 | 9.2 | 28 | 5 | ChEMBL | None | None | None | None | 10.1021/jm050645f | |||||
| DB09059 | 518 | None | 30 | Human | Binding | pKi | = | 9.2 | 9.2 | 28 | 5 | ChEMBL | None | None | None | None | 10.1021/jm050645f | |||||
| 57394727 | 70223 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 2041 | 2 | 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 | 70223 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 2041 | 2 | 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 | 2205 | None | 13 | Human | Binding | pKi | = | 9.2 | 9.2 | -16 | 5 | 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 | 2205 | None | 13 | Human | Binding | pKi | = | 9.2 | 9.2 | -16 | 5 | 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 | 2205 | None | 13 | Human | Binding | pKi | = | 9.2 | 9.2 | -16 | 5 | 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 | 98964 | None | 7 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 98964 | None | 7 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 171838 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 171838 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 64084 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 75 | 2 | 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 | 64084 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 75 | 2 | 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 | 167476 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 167476 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 3976 | None | 29 | Human | Binding | pKi | = | 9.2 | 9.2 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm3006146 | |||||
| 2810 | 3976 | None | 29 | Human | Binding | pKi | = | 9.2 | 9.2 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm3006146 | |||||
| 644077 | 3976 | None | 29 | Human | Binding | pKi | = | 9.2 | 9.2 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm3006146 | |||||
| 644077.0 | 3976 | None | 29 | Human | Binding | pKi | = | 9.2 | 9.2 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm3006146 | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Binding | pKi | = | 9.2 | 9.2 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm3006146 | |||||
| DB00067 | 3976 | None | 29 | Human | Binding | pKi | = | 9.2 | 9.2 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm3006146 | |||||
| 10615 | 572 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | -501 | 4 | 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 | 572 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | -501 | 4 | 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 | 572 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | -501 | 4 | 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 | 572 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | -501 | 4 | 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 | 572 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | -501 | 4 | 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 | 572 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | -501 | 4 | 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 | 572 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | -501 | 4 | 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 | 572 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | -501 | 4 | 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 | 572 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | -501 | 4 | 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 | 572 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | -501 | 4 | 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 | 572 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | -501 | 4 | 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 | 572 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | -501 | 4 | 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 | 180069 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | ChEMBL | 423 | 2 | 0 | 5 | 4.3 | Brc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4746716 | 180069 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | ChEMBL | 423 | 2 | 0 | 5 | 4.3 | Brc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| 162655215 | 180915 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 180915 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | - | 1 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.2 | 9.2 | 1 | 6 | 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 | 7305 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 181 | 2 | 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 | 7305 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 181 | 2 | 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 | 2231 | None | 22 | Rat | Binding | pKi | = | 9.1 | 9.1 | 5 | 6 | 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 | 2231 | None | 22 | Rat | Binding | pKi | = | 9.1 | 9.1 | 5 | 6 | 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 | 2231 | None | 22 | Rat | Binding | pKi | = | 9.1 | 9.1 | 5 | 6 | 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 | 6729 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 19 | 2 | 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 | 6729 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 19 | 2 | 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 | 183618 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 707 | 2 | 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 | 183618 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 707 | 2 | 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 | 96756 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 96756 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 96756 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 7133 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 707 | 2 | 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 | 7133 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 707 | 2 | 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 | 96476 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 4 | 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 | 96476 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 4 | 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 | 166772 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 166772 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 183618 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 707 | 2 | 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 | 183618 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 707 | 2 | 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 | 183618 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 707 | 2 | 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 | 183618 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 707 | 2 | 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 | 168989 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 168989 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 6 | 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 | 166588 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 166588 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 167189 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 167189 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 182926 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 182926 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | - | 1 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 6 | 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 | 149899 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | - | 1 | 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 | 149899 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | - | 1 | 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 | 118730 | None | 34 | Human | Binding | pKi | = | 9 | 9.0 | 16 | 2 | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/acs.jmedchem.6b01437 | |||
| CHEMBL3416885 | 118730 | None | 34 | Human | Binding | pKi | = | 9 | 9.0 | 16 | 2 | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/acs.jmedchem.6b01437 | |||
| 59657616 | 118713 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | 40 | 2 | ChEMBL | 506 | 3 | 0 | 5 | 3.7 | CN1CCN(C(=O)Cn2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 | 10.1021/jm501745f | |||
| CHEMBL3416868 | 118713 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | 40 | 2 | ChEMBL | 506 | 3 | 0 | 5 | 3.7 | CN1CCN(C(=O)Cn2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 | 10.1021/jm501745f | |||
| 11993729 | 118728 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | 12 | 2 | ChEMBL | 463 | 3 | 0 | 4 | 5.1 | CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | |||
| CHEMBL3416883 | 118728 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | 12 | 2 | ChEMBL | 463 | 3 | 0 | 4 | 5.1 | CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | |||
| 59657596 | 118730 | None | 34 | Human | Binding | pKi | = | 9 | 9.0 | 16 | 2 | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | |||
| CHEMBL3416885 | 118730 | None | 34 | Human | Binding | pKi | = | 9 | 9.0 | 16 | 2 | ChEMBL | 437 | 4 | 0 | 4 | 4.5 | CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | |||
| 162658180 | 181167 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | - | 1 | 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 | 181167 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | - | 1 | 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 | 208685 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | 32 | 4 | 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 | 208685 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | 32 | 4 | 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 | 7360 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 1148 | 2 | 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 | 7360 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 1148 | 2 | 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 | 157231 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 8 | 2 | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | |||
| CHEMBL4075127 | 157231 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 8 | 2 | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | |||
| 10164478 | 209143 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 16 | 4 | ChEMBL | 509 | 11 | 0 | 6 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | |||
| CHEMBL89552 | 209143 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 16 | 4 | ChEMBL | 509 | 11 | 0 | 6 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | |||
| 10303620 | 208734 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 9 | 4 | ChEMBL | 577 | 12 | 0 | 6 | 7.8 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCC(N2CCCCC2)CC1 | 10.1021/jm010544r | |||
| CHEMBL86949 | 208734 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 9 | 4 | ChEMBL | 577 | 12 | 0 | 6 | 7.8 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCC(N2CCCCC2)CC1 | 10.1021/jm010544r | |||
| 46890055 | 6453 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 2290 | 2 | 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 | 6453 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 2290 | 2 | 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 | 3976 | None | 29 | Human | Binding | pKi | = | 9.0 | 9.0 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm1016208 | |||||
| 2810 | 3976 | None | 29 | Human | Binding | pKi | = | 9.0 | 9.0 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm1016208 | |||||
| 644077 | 3976 | None | 29 | Human | Binding | pKi | = | 9.0 | 9.0 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm1016208 | |||||
| 644077.0 | 3976 | None | 29 | Human | Binding | pKi | = | 9.0 | 9.0 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm1016208 | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Binding | pKi | = | 9.0 | 9.0 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm1016208 | |||||
| DB00067 | 3976 | None | 29 | Human | Binding | pKi | = | 9.0 | 9.0 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm1016208 | |||||
| 57399933 | 70221 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | - | 1 | 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 | 70221 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | - | 1 | 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 | 169363 | None | 0 | Rat | Binding | pKi | = | 9.0 | 9.0 | 1 | 3 | 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 | 169363 | None | 0 | Rat | Binding | pKi | = | 9.0 | 9.0 | 1 | 3 | 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 | 64079 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 61 | 2 | 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 | 64079 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 61 | 2 | 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 | 149854 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | - | 1 | 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 | 149854 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | - | 1 | 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 | 152465 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | - | 1 | 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 | 152465 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | - | 1 | 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 | 3976 | None | 29 | Human | Binding | pKi | = | 9.0 | 9.0 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 2810 | 3976 | None | 29 | Human | Binding | pKi | = | 9.0 | 9.0 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077 | 3976 | None | 29 | Human | Binding | pKi | = | 9.0 | 9.0 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077.0 | 3976 | None | 29 | Human | Binding | pKi | = | 9.0 | 9.0 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Binding | pKi | = | 9.0 | 9.0 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| DB00067 | 3976 | None | 29 | Human | Binding | pKi | = | 9.0 | 9.0 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 24896178 | 92053 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | 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 | 92053 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | 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 | 166562 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | 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 | 166562 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | 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 | 152391 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | 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 | 152391 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | 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 | 93119 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | 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 | |||
| 44428551.0 | 93119 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | 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 | 93119 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | 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 | 157333 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | 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 | 157333 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | 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 | 157333 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | 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 | 3976 | None | 29 | Human | Binding | pKi | = | 8.9 | 8.9 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 2810 | 3976 | None | 29 | Human | Binding | pKi | = | 8.9 | 8.9 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077 | 3976 | None | 29 | Human | Binding | pKi | = | 8.9 | 8.9 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077.0 | 3976 | None | 29 | Human | Binding | pKi | = | 8.9 | 8.9 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Binding | pKi | = | 8.9 | 8.9 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| DB00067 | 3976 | None | 29 | Human | Binding | pKi | = | 8.9 | 8.9 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 121301508 | 176323 | None | 5 | Human | Binding | pKi | = | 8.9 | 8.9 | -1 | 3 | ChEMBL | 542 | 7 | 2 | 9 | 3.6 | C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1 | 10.6019/CHEMBL5463729 | |||
| CHEMBL4594444 | 176323 | None | 5 | Human | Binding | pKi | = | 8.9 | 8.9 | -1 | 3 | ChEMBL | 542 | 7 | 2 | 9 | 3.6 | C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1 | 10.6019/CHEMBL5463729 | |||
| 2168 | 3976 | None | 29 | Human | Binding | pKi | = | 8.9 | 8.9 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 2810 | 3976 | None | 29 | Human | Binding | pKi | = | 8.9 | 8.9 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077 | 3976 | None | 29 | Human | Binding | pKi | = | 8.9 | 8.9 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077.0 | 3976 | None | 29 | Human | Binding | pKi | = | 8.9 | 8.9 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Binding | pKi | = | 8.9 | 8.9 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| DB00067 | 3976 | None | 29 | Human | Binding | pKi | = | 8.9 | 8.9 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 56680285 | 64077 | None | 0 | Rat | Binding | pKi | = | 8.9 | 8.9 | -37 | 2 | 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 | 64077 | None | 0 | Rat | Binding | pKi | = | 8.9 | 8.9 | -37 | 2 | 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 | 181975 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | ChEMBL | 379 | 2 | 0 | 5 | 4.2 | Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c01215 | |||
| CHEMBL4778839 | 181975 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | ChEMBL | 379 | 2 | 0 | 5 | 4.2 | Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c01215 | |||
| 57978135 | 118727 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | 89 | 2 | ChEMBL | 449 | 3 | 1 | 4 | 4.7 | O=C(c1cn(C[C@@H]2CCCN2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | |||
| CHEMBL3416882 | 118727 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | 89 | 2 | ChEMBL | 449 | 3 | 1 | 4 | 4.7 | O=C(c1cn(C[C@@H]2CCCN2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | |||
| 162652318 | 180428 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | ChEMBL | 356 | 2 | 1 | 4 | 3.4 | O=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4751140 | 180428 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | ChEMBL | 356 | 2 | 1 | 4 | 3.4 | O=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 | 10.1016/j.bmcl.2020.127417 | |||
| 162660856 | 181975 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | ChEMBL | 379 | 2 | 0 | 5 | 4.2 | Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4778839 | 181975 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | - | 1 | ChEMBL | 379 | 2 | 0 | 5 | 4.2 | Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | |||
| 71461726 | 79723 | None | 0 | Rat | Binding | pKi | = | 8.9 | 8.9 | 257 | 2 | 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 | 79723 | None | 0 | Rat | Binding | pKi | = | 8.9 | 8.9 | 257 | 2 | 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 | 3311 | None | 35 | Rat | Binding | pKi | = | 8.9 | 8.9 | -1 | 6 | 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 | 3311 | None | 35 | Rat | Binding | pKi | = | 8.9 | 8.9 | -1 | 6 | 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 | 3311 | None | 35 | Rat | Binding | pKi | = | 8.9 | 8.9 | -1 | 6 | 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 | 3311 | None | 35 | Rat | Binding | pKi | = | 8.9 | 8.9 | -1 | 6 | 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 | 3311 | None | 35 | Rat | Binding | pKi | = | 8.9 | 8.9 | -1 | 6 | 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 | 161107 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | - | 1 | 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 | 161107 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | - | 1 | 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 | 78662 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | 70 | 4 | ChEMBL | 523 | 11 | 0 | 6 | 6.4 | Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | |||
| CHEMBL2112339 | 78662 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | 70 | 4 | ChEMBL | 523 | 11 | 0 | 6 | 6.4 | Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | |||
| 2200 | 3311 | None | 35 | Human | Binding | pKi | = | 8.8 | 8.8 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 8.8 | 8.8 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 8.8 | 8.8 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 8.8 | 8.8 | 1 | 6 | 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 | 3311 | None | 35 | Human | Binding | pKi | = | 8.8 | 8.8 | 1 | 6 | 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 | 142975 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | - | 1 | 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 | 142975 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | - | 1 | 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 | 212163 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | 1 | 4 | 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 | 3976 | None | 29 | Human | Binding | pKi | = | 8.8 | 8.8 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 2810 | 3976 | None | 29 | Human | Binding | pKi | = | 8.8 | 8.8 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077 | 3976 | None | 29 | Human | Binding | pKi | = | 8.8 | 8.8 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 644077.0 | 3976 | None | 29 | Human | Binding | pKi | = | 8.8 | 8.8 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| CHEMBL373742 | 3976 | None | 29 | Human | Binding | pKi | = | 8.8 | 8.8 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| DB00067 | 3976 | None | 29 | Human | Binding | pKi | = | 8.8 | 8.8 | -5 | 9 | ChEMBL | None | None | None | None | 10.1021/jm061404q | |||||
| 2168 | 3976 | None | 29 | Rat | Binding | pKi | = | 8.8 | 8.8 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| 2810 | 3976 | None | 29 | Rat | Binding | pKi | = | 8.8 | 8.8 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| 644077 | 3976 | None | 29 | Rat | Binding | pKi | = | 8.8 | 8.8 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| 644077.0 | 3976 | None | 29 | Rat | Binding | pKi | = | 8.8 | 8.8 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| CHEMBL373742 | 3976 | None | 29 | Rat | Binding | pKi | = | 8.8 | 8.8 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| DB00067 | 3976 | None | 29 | Rat | Binding | pKi | = | 8.8 | 8.8 | -8 | 9 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| 10715974 | 11926 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | 4 | 2 | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | |||
| CHEMBL118271 | 11926 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | 4 | 2 | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | |||
| 162667087 | 182545 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | - | 1 | ChEMBL | 348 | 2 | 0 | 5 | 4.5 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | |||
| CHEMBL4786172 | 182545 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | - | 1 | ChEMBL | 348 | 2 | 0 | 5 | 4.5 | Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)no1 | 10.1016/j.bmcl.2020.127417 | |||
| 54587189 | 61929 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | 33 | 2 | 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 | 61929 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | 33 | 2 | 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 | 64072 | None | 0 | Rat | Binding | pKi | = | 8.8 | 8.8 | -42 | 2 | 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 | 64072 | None | 0 | Rat | Binding | pKi | = | 8.8 | 8.8 | -42 | 2 | 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 | |||
| 145993846 | 167476 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | - | 1 | 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 | 167476 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | - | 1 | 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 | 64086 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | 72 | 2 | 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 | 64086 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | 72 | 2 | 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 | 159837 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | 2 | 2 | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | |||
| CHEMBL4104877 | 159837 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | 2 | 2 | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | |||
| 15976308 | 149856 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | - | 1 | 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 | 149856 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | - | 1 | 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 | 79720 | None | 0 | Rat | Binding | pKi | = | 8.7 | 8.7 | 123 | 2 | 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 | 79720 | None | 0 | Rat | Binding | pKi | = | 8.7 | 8.7 | 123 | 2 | 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 | 169139 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | - | 1 | 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 | 169139 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | - | 1 | 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 | 62401 | None | 0 | Human | Binding | pKi | = | 8 | 8.0 | -331 | 3 | 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 | 62401 | None | 0 | Human | Binding | pKi | = | 8 | 8.0 | -331 | 3 | 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 | 152672 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | - | 1 | 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 | 152672 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | - | 1 | 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 | |||
| 2181 | 1331 | None | 29 | Rat | Binding | pKi | = | 8.0 | 8.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| 2182 | 1331 | None | 29 | Rat | Binding | pKi | = | 8.0 | 8.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| 27991 | 1331 | None | 29 | Rat | Binding | pKi | = | 8.0 | 8.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| 27991.0 | 1331 | None | 29 | Rat | Binding | pKi | = | 8.0 | 8.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| CHEMBL1429 | 1331 | None | 29 | Rat | Binding | pKi | = | 8.0 | 8.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| CHEMBL264448 | 1331 | None | 29 | Rat | Binding | pKi | = | 8.0 | 8.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| DB00035 | 1331 | None | 29 | Rat | Binding | pKi | = | 8.0 | 8.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| 56673645 | 64063 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | 17 | 2 | 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 | 64063 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | 17 | 2 | 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 | 182855 | None | 0 | Human | Binding | pKi | = | 7 | 7.0 | - | 1 | 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 | 182855 | None | 0 | Human | Binding | pKi | = | 7 | 7.0 | - | 1 | 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 | 1331 | None | 29 | Rat | Binding | pKi | = | 7 | 7.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| 2182 | 1331 | None | 29 | Rat | Binding | pKi | = | 7 | 7.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| 27991 | 1331 | None | 29 | Rat | Binding | pKi | = | 7 | 7.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| 27991.0 | 1331 | None | 29 | Rat | Binding | pKi | = | 7 | 7.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| CHEMBL1429 | 1331 | None | 29 | Rat | Binding | pKi | = | 7 | 7.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| CHEMBL264448 | 1331 | None | 29 | Rat | Binding | pKi | = | 7 | 7.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| DB00035 | 1331 | None | 29 | Rat | Binding | pKi | = | 7 | 7.0 | -177 | 8 | ChEMBL | None | None | None | None | 10.1021/jm060928n | |||||
| 44325345 | 111625 | None | 0 | Human | Binding | pKi | = | 7 | 7.0 | -75 | 2 | 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 | 111625 | None | 0 | Human | Binding | pKi | = | 7 | 7.0 | -75 | 2 | 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 | 161710 | None | 0 | Rat | Binding | pKi | = | 6 | 6.0 | -3981 | 4 | 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 | 161710 | None | 0 | Rat | Binding | pKi | = | 6 | 6.0 | -3981 | 4 | 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 | 62398 | None | 0 | Human | Binding | pKi | = | 7 | 7.0 | -1258 | 3 | 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 | 62398 | None | 0 | Human | Binding | pKi | = | 7 | 7.0 | -1258 | 3 | 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 | 118707 | None | 0 | Mouse | Binding | pKi | = | 6 | 6.0 | -251 | 3 | ChEMBL | 366 | 1 | 1 | 2 | 4.5 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | |||
| CHEMBL3416861 | 118707 | None | 0 | Mouse | Binding | pKi | = | 6 | 6.0 | -251 | 3 | ChEMBL | 366 | 1 | 1 | 2 | 4.5 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | |||
| 24997177 | 118715 | None | 0 | Mouse | Binding | pKi | = | 6.0 | 6.0 | -204 | 2 | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12 | 10.1021/jm501745f | |||
| CHEMBL3416870 | 118715 | None | 0 | Mouse | Binding | pKi | = | 6.0 | 6.0 | -204 | 2 | ChEMBL | 367 | 1 | 1 | 3 | 3.9 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12 | 10.1021/jm501745f | |||
| 10208389 | 78662 | None | 0 | Rat | Binding | pKi | = | 7.0 | 7.0 | -70 | 4 | ChEMBL | 523 | 11 | 0 | 6 | 6.4 | Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | |||
| CHEMBL2112339 | 78662 | None | 0 | Rat | Binding | pKi | = | 7.0 | 7.0 | -70 | 4 | ChEMBL | 523 | 11 | 0 | 6 | 6.4 | Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | |||
| 448537 | 160344 | None | 54 | Human | Binding | pKi | = | 5.0 | 5.0 | -45 | 25 | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| CHEMBL411 | 160344 | None | 54 | Human | Binding | pKi | = | 5.0 | 5.0 | -45 | 25 | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| 46890054 | 6921 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | 19 | 2 | 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 | 6921 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | 19 | 2 | 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 | 162079 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | - | 1 | 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 | 162079 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | - | 1 | 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 | 63244 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | -426 | 3 | 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 | 63244 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | -426 | 3 | 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 | 163991 | None | 1 | Human | Binding | pKi | = | 6.0 | 6.0 | - | 1 | ChEMBL | 308 | 2 | 1 | 2 | 3.6 | CC(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | |||
| CHEMBL4207120 | 163991 | None | 1 | Human | Binding | pKi | = | 6.0 | 6.0 | - | 1 | ChEMBL | 308 | 2 | 1 | 2 | 3.6 | CC(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | |||
| 54581266 | 61909 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | - | 1 | 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 | 61909 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | - | 1 | 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 | 7031 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | 93 | 2 | 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 | 7031 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | 93 | 2 | 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 | 216753 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | - | 1 | 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 | 118729 | None | 0 | Mouse | Binding | pKi | = | 8.0 | 8.0 | -2 | 2 | ChEMBL | 463 | 2 | 0 | 4 | 5.2 | CN1CCC(n2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 | 10.1021/jm501745f | |||
| CHEMBL3416884 | 118729 | None | 0 | Mouse | Binding | pKi | = | 8.0 | 8.0 | -2 | 2 | ChEMBL | 463 | 2 | 0 | 4 | 5.2 | CN1CCC(n2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 | 10.1021/jm501745f | |||
| 44419025 | 84330 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -45 | 8 | 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 | 84330 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -45 | 8 | 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 | 63241 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -69 | 3 | 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 | 63241 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -69 | 3 | 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 | 2227 | None | 17 | Rat | Binding | pKi | = | 7.0 | 7.0 | -30 | 7 | 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 | 2227 | None | 17 | Rat | Binding | pKi | = | 7.0 | 7.0 | -30 | 7 | 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 | 2227 | None | 17 | Rat | Binding | pKi | = | 7.0 | 7.0 | -30 | 7 | 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 | 111990 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | -33 | 2 | 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 | 111990 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | -33 | 2 | 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 | 112632 | None | 0 | Human | Binding | pKi | = | 5.0 | 5.0 | -1096 | 2 | 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 | 112632 | None | 0 | Human | Binding | pKi | = | 5.0 | 5.0 | -1096 | 2 | 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 | 79096 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -3 | 2 | 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 | 79096 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -3 | 2 | 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 | 7205 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | -5 | 2 | 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 | 7205 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | -5 | 2 | 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 | 61911 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | - | 1 | 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 | 61911 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | - | 1 | 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 | 202388 | None | 41 | Human | Binding | pKi | = | 6.0 | 6.0 | -117 | 5 | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/jm901812z | |||
| CHEMBL594828 | 202388 | None | 41 | Human | Binding | pKi | = | 6.0 | 6.0 | -117 | 5 | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/jm901812z | |||
| 45483204 | 200343 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -11 | 5 | 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 | 200343 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -11 | 5 | 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 | 200343 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -11 | 5 | 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 | 200343 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -11 | 5 | 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 | 137987 | None | 19 | Human | Binding | pKi | = | 7.0 | 7.0 | 1 | 3 | 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 | 137987 | None | 19 | Human | Binding | pKi | = | 7.0 | 7.0 | 1 | 3 | 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 | 137987 | None | 19 | Human | Binding | pKi | = | 7.0 | 7.0 | 1 | 3 | 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 | 137987 | None | 19 | Human | Binding | pKi | = | 7.0 | 7.0 | 1 | 3 | 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 | 64082 | None | 0 | Rat | Binding | pKi | = | 6.9 | 6.9 | -57 | 2 | 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 | 64082 | None | 0 | Rat | Binding | pKi | = | 6.9 | 6.9 | -57 | 2 | 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 | 207458 | None | 0 | Rat | Binding | pKi | = | 5.9 | 5.9 | 1 | 2 | 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 | 207458 | None | 0 | Rat | Binding | pKi | = | 5.9 | 5.9 | 1 | 2 | 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 | 169135 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | - | 1 | 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 | 169135 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | - | 1 | 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 | 169135 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | - | 1 | 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 | 136081 | None | 7 | Human | Binding | pKi | = | 6.9 | 6.9 | 1 | 2 | ChEMBL | 436 | 6 | 0 | 4 | 3.5 | COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | |||
| CHEMBL373167 | 136081 | None | 7 | Human | Binding | pKi | = | 6.9 | 6.9 | 1 | 2 | ChEMBL | 436 | 6 | 0 | 4 | 3.5 | COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | |||
| 46890258 | 6937 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | - | 1 | 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 | 6937 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | - | 1 | 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 | 118725 | None | 2 | Human | Binding | pKi | = | 6.9 | 6.9 | 16 | 2 | ChEMBL | 373 | 2 | 1 | 2 | 4.4 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCN(c2ccccc2Cl)CC1 | 10.1021/jm501745f | |||
| CHEMBL3416880 | 118725 | None | 2 | Human | Binding | pKi | = | 6.9 | 6.9 | 16 | 2 | ChEMBL | 373 | 2 | 1 | 2 | 4.4 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCN(c2ccccc2Cl)CC1 | 10.1021/jm501745f | |||
| 135469685 | 79110 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -165 | 3 | 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 | 79110 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -165 | 3 | 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 | 216831 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | - | 1 | ChEMBL | None | None | None | OC1Cc2c(Cl)cccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | |||||
| 56680282 | 64064 | None | 0 | Rat | Binding | pKi | = | 7.9 | 7.9 | -21 | 2 | 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 | 64064 | None | 0 | Rat | Binding | pKi | = | 7.9 | 7.9 | -21 | 2 | 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 | 63243 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -67 | 3 | 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 | 63243 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -67 | 3 | 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 | 137987 | None | 19 | Human | Binding | pKi | = | 7.9 | 7.9 | 1 | 3 | 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 | 137987 | None | 19 | Human | Binding | pKi | = | 7.9 | 7.9 | 1 | 3 | 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 | 61908 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | - | 1 | 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 | 61908 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | - | 1 | 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 | 180665 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -31 | 4 | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | |||
| CHEMBL475395 | 180665 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -31 | 4 | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | |||
| 44419039 | 137483 | None | 0 | Rat | Binding | pKi | = | 7.9 | 7.9 | -100 | 8 | 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 | 137483 | None | 0 | Rat | Binding | pKi | = | 7.9 | 7.9 | -100 | 8 | 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 | 166588 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | - | 1 | 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 | 166588 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | - | 1 | 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 | 208801 | None | 8 | Human | Binding | pKi | = | 6.9 | 6.9 | 20 | 2 | ChEMBL | 341 | 4 | 0 | 4 | 4.9 | COc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | |||
| CHEMBL87351 | 208801 | None | 8 | Human | Binding | pKi | = | 6.9 | 6.9 | 20 | 2 | ChEMBL | 341 | 4 | 0 | 4 | 4.9 | COc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | |||
| 2042 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm010526+ | |||||
| 2174 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm010526+ | |||||
| 2176 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm010526+ | |||||
| 439302 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm010526+ | |||||
| 439302.0 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm010526+ | |||||
| CHEMBL395429 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm010526+ | |||||
| DB00107 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm010526+ | |||||
| 2042 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm501395b | |||||
| 2174 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm501395b | |||||
| 2176 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm501395b | |||||
| 439302 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm501395b | |||||
| 439302.0 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm501395b | |||||
| CHEMBL395429 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm501395b | |||||
| DB00107 | 2983 | None | 40 | Human | Binding | pKi | = | 6.9 | 6.9 | -29 | 8 | ChEMBL | None | None | None | None | 10.1021/jm501395b | |||||
| 44361522 | 121760 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -2137 | 5 | ChEMBL | 477 | 4 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1021/jm00023a002 | |||
| CHEMBL358793 | 121760 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -2137 | 5 | ChEMBL | 477 | 4 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1021/jm00023a002 | |||
| 57978135 | 118727 | None | 0 | Mouse | Binding | pKi | = | 6.9 | 6.9 | -89 | 2 | ChEMBL | 449 | 3 | 1 | 4 | 4.7 | O=C(c1cn(C[C@@H]2CCCN2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | |||
| CHEMBL3416882 | 118727 | None | 0 | Mouse | Binding | pKi | = | 6.9 | 6.9 | -89 | 2 | ChEMBL | 449 | 3 | 1 | 4 | 4.7 | O=C(c1cn(C[C@@H]2CCCN2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | |||
| 44419029 | 96963 | None | 0 | Rat | Binding | pKi | = | 5.9 | 5.9 | -31622 | 4 | 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 | 96963 | None | 0 | Rat | Binding | pKi | = | 5.9 | 5.9 | -31622 | 4 | 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 | 2326 | None | 17 | Human | Binding | pKi | = | 5.9 | 5.9 | -5 | 3 | 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 | 2326 | None | 17 | Human | Binding | pKi | = | 5.9 | 5.9 | -5 | 3 | 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 | 2326 | None | 17 | Human | Binding | pKi | = | 5.9 | 5.9 | -5 | 3 | 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 | 2326 | None | 17 | Human | Binding | pKi | = | 5.9 | 5.9 | -5 | 3 | 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 | 200727 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -20 | 3 | 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 | 200727 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -20 | 3 | 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 | 104795 | None | 5 | Human | Binding | pKi | = | 5.9 | 5.9 | -630 | 2 | 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 | 104795 | None | 5 | Human | Binding | pKi | = | 5.9 | 5.9 | -630 | 2 | 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 | 104795 | None | 5 | Human | Binding | pKi | = | 5.9 | 5.9 | -630 | 2 | 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 | 104795 | None | 5 | Human | Binding | pKi | = | 5.9 | 5.9 | -630 | 2 | 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 | 200754 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -8 | 3 | 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 | 200754 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -8 | 3 | 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 | 61913 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | - | 1 | 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 | 61913 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | - | 1 | 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 | 61923 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | 1 | 2 | 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 | 61923 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | 1 | 2 | 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 | 64081 | None | 0 | Rat | Binding | pKi | = | 6.9 | 6.9 | -18 | 2 | 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 | 64081 | None | 0 | Rat | Binding | pKi | = | 6.9 | 6.9 | -18 | 2 | 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 | 64084 | None | 0 | Rat | Binding | pKi | = | 6.9 | 6.9 | -75 | 2 | 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 | 64084 | None | 0 | Rat | Binding | pKi | = | 6.9 | 6.9 | -75 | 2 | 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 | 64086 | None | 0 | Rat | Binding | pKi | = | 6.9 | 6.9 | -72 | 2 | 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 | 64086 | None | 0 | Rat | Binding | pKi | = | 6.9 | 6.9 | -72 | 2 | 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 | 167035 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | - | 1 | 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 | 167035 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | - | 1 | 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 | 79095 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -11 | 2 | 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 | 79095 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -11 | 2 | 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 | 212162 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -6 | 4 | 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 | 93230 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | - | 1 | 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 | 93230 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | - | 1 | 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 | 118667 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | 22 | 2 | 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 | 118667 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | 22 | 2 | 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 | 118667 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | 22 | 2 | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | |||
| CHEMBL3416774 | 118667 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | 22 | 2 | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | |||
| 11993729 | 118728 | None | 0 | Mouse | Binding | pKi | = | 7.9 | 7.9 | -12 | 2 | ChEMBL | 463 | 3 | 0 | 4 | 5.1 | CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | |||
| CHEMBL3416883 | 118728 | None | 0 | Mouse | Binding | pKi | = | 7.9 | 7.9 | -12 | 2 | ChEMBL | 463 | 3 | 0 | 4 | 5.1 | CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 | 10.1021/jm501745f | |||
| 162646538 | 179712 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | - | 1 | 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 | 179712 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | - | 1 | 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 | 179975 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | - | 1 | 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 | 179975 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | - | 1 | 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 | 62402 | None | 0 | Human | ||||||||||||||||||