Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 2042 | 2935 | 52 | None | -5 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| 2174 | 2935 | 52 | None | -5 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| 2176 | 2935 | 52 | None | -5 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| 439302 | 2935 | 52 | None | -5 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| CHEMBL395429 | 2935 | 52 | None | -5 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| DB00107 | 2935 | 52 | None | -5 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| 54584265 | 60854 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1026 | 18 | 11 | 14 | -0.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765663 | 60854 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1026 | 18 | 11 | 14 | -0.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1817708 | 207246 | 0 | None | -123 | 4 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| 162661562 | 180842 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 937 | 24 | 13 | 15 | -6.2 | NC(=O)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(N)=O | 10.1039/d0md00173b | ||
| CHEMBL4763929 | 180842 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 937 | 24 | 13 | 15 | -6.2 | NC(=O)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(N)=O | 10.1039/d0md00173b | ||
| CHEMBL1817766 | 207262 | 0 | None | -13 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| CHEMBL1817770 | 207266 | 0 | None | -77 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817766 | 207262 | 0 | None | -13 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| CHEMBL1817770 | 207266 | 0 | None | -77 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817754 | 207250 | 0 | None | -120 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817767 | 207263 | 0 | None | -10 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817754 | 207250 | 0 | None | -120 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817767 | 207263 | 0 | None | -10 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817768 | 207264 | 0 | None | -15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817768 | 207264 | 0 | None | -15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817771 | 207267 | 0 | None | -44 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817771 | 207267 | 0 | None | -44 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362154 | 64471 | 0 | None | -7 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1047 | 20 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819559 | 64471 | 0 | None | -7 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1047 | 20 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819540 | 207271 | 0 | None | -107 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819540 | 207271 | 0 | None | -107 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819441 | 207270 | 0 | None | -208 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 53362154 | 64471 | 0 | None | -7 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1047 | 20 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819559 | 64471 | 0 | None | -7 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1047 | 20 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819548 | 207279 | 0 | None | -281 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | 207279 | 0 | None | -281 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| CHEMBL1819441 | 207270 | 0 | None | -208 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817772 | 207268 | 0 | None | -11 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| CHEMBL1817758 | 207254 | 0 | None | -114 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817772 | 207268 | 0 | None | -11 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| CHEMBL1817758 | 207254 | 0 | None | -114 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362311 | 64296 | 0 | None | -9 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1035 | 20 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817698 | 64296 | 0 | None | -9 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1035 | 20 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O | 10.1021/jm200278m | ||
| 53362311 | 64296 | 0 | None | -9 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1035 | 20 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817698 | 64296 | 0 | None | -9 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1035 | 20 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819554 | 207284 | 0 | None | -24 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819545 | 207276 | 0 | None | -6 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 2168 | 3913 | 35 | None | -43 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2810 | 3913 | 35 | None | -43 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 644077 | 3913 | 35 | None | -43 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL373742 | 3913 | 35 | None | -43 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| DB00067 | 3913 | 35 | None | -43 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 54584266 | 60855 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1145 | 20 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccccc2N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765664 | 60855 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1145 | 20 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccccc2N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1819554 | 207284 | 0 | None | -24 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362548 | 64302 | 0 | None | -7 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817751 | 64302 | 0 | None | -7 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819545 | 207276 | 0 | None | -6 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817703 | 207241 | 0 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| CHEMBL1819550 | 207281 | 0 | None | -95 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362548 | 64302 | 0 | None | -7 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817751 | 64302 | 0 | None | -7 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817703 | 207241 | 0 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| CHEMBL1819550 | 207281 | 0 | None | -95 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817760 | 207256 | 0 | None | -14 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 145960494 | 161013 | 0 | None | -20 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1081 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4128839 | 161013 | 0 | None | -20 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1081 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL1817760 | 207256 | 0 | None | -14 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 2042 | 2935 | 52 | None | -5 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2174 | 2935 | 52 | None | -5 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2176 | 2935 | 52 | None | -5 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 439302 | 2935 | 52 | None | -5 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL395429 | 2935 | 52 | None | -5 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| DB00107 | 2935 | 52 | None | -5 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL1819542 | 207273 | 10 | None | -204 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819542 | 207273 | 10 | None | -204 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362310 | 64295 | 0 | None | -3 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1021 | 19 | 13 | 16 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817697 | 64295 | 0 | None | -3 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1021 | 19 | 13 | 16 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817752 | 207248 | 0 | None | -181 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)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 | ||||
| CHEMBL1819553 | 207283 | 0 | None | -19 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817752 | 207248 | 0 | None | -181 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)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 | ||||
| CHEMBL1819553 | 207283 | 0 | None | -19 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362310 | 64295 | 0 | None | -3 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1021 | 19 | 13 | 16 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817697 | 64295 | 0 | None | -3 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1021 | 19 | 13 | 16 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819543 | 207274 | 0 | None | -52 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819543 | 207274 | 0 | None | -52 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817763 | 207259 | 0 | None | -19 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817763 | 207259 | 0 | None | -19 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362368 | 64299 | 0 | None | -5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1035 | 19 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCC(C)O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817700 | 64299 | 0 | None | -5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1035 | 19 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCC(C)O)NC1=O | 10.1021/jm200278m | ||
| 11169 | 785 | 34 | None | -169 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | 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/acs.jmedchem.8b00697 | ||||
| 131676677 | 785 | 34 | None | -169 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | 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/acs.jmedchem.8b00697 | ||||
| 16681432 | 785 | 34 | None | -169 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | 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/acs.jmedchem.8b00697 | ||||
| 495 | 785 | 34 | None | -169 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | 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/acs.jmedchem.8b00697 | ||||
| CHEMBL3301668 | 785 | 34 | None | -169 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | 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/acs.jmedchem.8b00697 | ||||
| DB01282 | 785 | 34 | None | -169 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | 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/acs.jmedchem.8b00697 | ||||
| 53362368 | 64299 | 0 | None | -5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1035 | 19 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCC(C)O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817700 | 64299 | 0 | None | -5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1035 | 19 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCC(C)O)NC1=O | 10.1021/jm200278m | ||
| 53362155 | 64472 | 0 | None | -25 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1021 | 19 | 12 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819560 | 64472 | 0 | None | -25 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1021 | 19 | 12 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O | 10.1021/jm200278m | ||
| 53362155 | 64472 | 0 | None | -25 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1021 | 19 | 12 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819560 | 64472 | 0 | None | -25 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1021 | 19 | 12 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817692 | 207239 | 0 | None | -19 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | 2935 | 52 | None | -5 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2174 | 2935 | 52 | None | -5 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2176 | 2935 | 52 | None | -5 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 439302 | 2935 | 52 | None | -5 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL395429 | 2935 | 52 | None | -5 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| DB00107 | 2935 | 52 | None | -5 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL1817692 | 207239 | 0 | None | -19 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| 53362257 | 64292 | 0 | None | -5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817694 | 64292 | 0 | None | -5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 145962220 | 161029 | 0 | None | -87 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4129142 | 161029 | 0 | None | -87 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 53362257 | 64292 | 0 | None | -5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817694 | 64292 | 0 | None | -5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817755 | 207251 | 0 | None | -20 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817755 | 207251 | 0 | None | -20 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817707 | 207245 | 0 | None | -194 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817707 | 207245 | 0 | None | -194 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 2042 | 2935 | 52 | None | -5 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2174 | 2935 | 52 | None | -5 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2176 | 2935 | 52 | None | -5 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 439302 | 2935 | 52 | None | -5 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL395429 | 2935 | 52 | None | -5 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| DB00107 | 2935 | 52 | None | -5 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 11454 | 3521 | 9 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53330936 | 3521 | 9 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817709 | 3521 | 9 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB12495 | 3521 | 9 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 11454 | 3521 | 9 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53330936 | 3521 | 9 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817709 | 3521 | 9 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB12495 | 3521 | 9 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817764 | 207260 | 0 | None | -47 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817764 | 207260 | 0 | None | -47 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819546 | 207277 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2csc3ccccc23)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 | ||||
| CHEMBL1817761 | 207257 | 0 | None | -1122 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819546 | 207277 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2csc3ccccc23)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 | 207247 | 0 | None | -19 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | 207247 | 0 | None | -19 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| CHEMBL1817761 | 207257 | 0 | None | -1122 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817706 | 207244 | 0 | None | -371 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817706 | 207244 | 0 | None | -371 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 53362204 | 64291 | 0 | None | -10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817693 | 64291 | 0 | None | -10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817765 | 207261 | 0 | None | -51 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817765 | 207261 | 0 | None | -51 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 2042 | 2935 | 52 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2174 | 2935 | 52 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2176 | 2935 | 52 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 439302 | 2935 | 52 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL395429 | 2935 | 52 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| DB00107 | 2935 | 52 | None | -5 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 53362204 | 64291 | 0 | None | -10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817693 | 64291 | 0 | None | -10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 2168 | 3913 | 35 | None | -43 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2810 | 3913 | 35 | None | -43 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 644077 | 3913 | 35 | None | -43 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL373742 | 3913 | 35 | None | -43 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB00067 | 3913 | 35 | None | -43 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2168 | 3913 | 35 | None | -43 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2810 | 3913 | 35 | None | -43 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 644077 | 3913 | 35 | None | -43 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL373742 | 3913 | 35 | None | -43 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB00067 | 3913 | 35 | None | -43 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53362369 | 64300 | 0 | None | -8 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1065 | 22 | 13 | 17 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817701 | 64300 | 0 | None | -8 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1065 | 22 | 13 | 17 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O | 10.1021/jm200278m | ||
| 53362369 | 64300 | 0 | None | -8 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1065 | 22 | 13 | 17 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817701 | 64300 | 0 | None | -8 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1065 | 22 | 13 | 17 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819552 | 207282 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819547 | 207278 | 0 | None | -22 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819547 | 207278 | 0 | None | -22 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817704 | 207242 | 0 | None | -338 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819552 | 207282 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817704 | 207242 | 0 | None | -338 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817702 | 207240 | 0 | None | -134 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| CHEMBL1817759 | 207255 | 0 | None | -31 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817702 | 207240 | 0 | None | -134 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| CHEMBL1817759 | 207255 | 0 | None | -31 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819549 | 207280 | 0 | None | -81 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819549 | 207280 | 0 | None | -81 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817762 | 207258 | 0 | None | -43 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817762 | 207258 | 0 | None | -43 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817757 | 207253 | 0 | None | -52 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817757 | 207253 | 0 | None | -52 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362156 | 64289 | 0 | None | -7 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1035 | 19 | 11 | 16 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N(C)OC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817690 | 64289 | 0 | None | -7 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1035 | 19 | 11 | 16 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N(C)OC)NC1=O | 10.1021/jm200278m | ||
| 53362156 | 64289 | 0 | None | -7 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1035 | 19 | 11 | 16 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N(C)OC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817690 | 64289 | 0 | None | -7 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1035 | 19 | 11 | 16 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N(C)OC)NC1=O | 10.1021/jm200278m | ||
| 53362259 | 64294 | 0 | None | -13 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 993 | 17 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817696 | 64294 | 0 | None | -13 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 993 | 17 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819541 | 207272 | 0 | None | -245 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362259 | 64294 | 0 | None | -13 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 993 | 17 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817696 | 64294 | 0 | None | -13 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 993 | 17 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819541 | 207272 | 0 | None | -245 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817756 | 207252 | 0 | None | -933 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817756 | 207252 | 0 | None | -933 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53363016 | 64469 | 0 | None | -9 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819557 | 64469 | 0 | None | -9 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 53363016 | 64469 | 0 | None | -9 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819557 | 64469 | 0 | None | -9 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 54583310 | 62763 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1542 | 24 | 16 | 22 | 1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765665 | 62763 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1542 | 24 | 16 | 22 | 1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1789128 | 62763 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1542 | 24 | 16 | 22 | 1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 53362312 | 64297 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1051 | 20 | 14 | 17 | -6.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC(CO)CO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817699 | 64297 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1051 | 20 | 14 | 17 | -6.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC(CO)CO)NC1=O | 10.1021/jm200278m | ||
| 53362258 | 64293 | 0 | None | -61 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1005 | 17 | 11 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817695 | 64293 | 0 | None | -61 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1005 | 17 | 11 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N(C)C)NC1=O | 10.1021/jm200278m | ||
| 53362312 | 64297 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1051 | 20 | 14 | 17 | -6.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC(CO)CO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817699 | 64297 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1051 | 20 | 14 | 17 | -6.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC(CO)CO)NC1=O | 10.1021/jm200278m | ||
| 53362258 | 64293 | 0 | None | -61 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1005 | 17 | 11 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817695 | 64293 | 0 | None | -61 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1005 | 17 | 11 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819556 | 207286 | 0 | None | -67 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819556 | 207286 | 0 | None | -67 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817753 | 207249 | 0 | None | -26 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817753 | 207249 | 0 | None | -26 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819440 | 207269 | 19 | None | -21 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819440 | 207269 | 19 | None | -21 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819555 | 207285 | 0 | None | -31 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| 53362202 | 64290 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1007 | 18 | 13 | 16 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817691 | 64290 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1007 | 18 | 13 | 16 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| 53362202 | 64290 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1007 | 18 | 13 | 16 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817691 | 64290 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1007 | 18 | 13 | 16 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817705 | 207243 | 0 | None | -288 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | 207243 | 0 | None | -288 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| CHEMBL1817769 | 207265 | 0 | None | -7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817769 | 207265 | 0 | None | -7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819555 | 207285 | 0 | None | -31 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| 53362547 | 64301 | 0 | None | -2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 977 | 16 | 12 | 15 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817750 | 64301 | 0 | None | -2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 977 | 16 | 12 | 15 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 53362547 | 64301 | 0 | None | -2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 977 | 16 | 12 | 15 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817750 | 64301 | 0 | None | -2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 977 | 16 | 12 | 15 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 145963213 | 160934 | 0 | None | -239 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4127791 | 160934 | 0 | None | -239 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 145961670 | 160817 | 0 | None | -660 | 4 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 1139 | 19 | 14 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4126100 | 160817 | 0 | None | -660 | 4 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 1139 | 19 | 14 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL1817671 | 207238 | 0 | None | -53 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817671 | 207238 | 0 | None | -53 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53363017 | 64470 | 0 | None | -2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1019 | 19 | 12 | 15 | -4.0 | CCNC(=O)CC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819558 | 64470 | 0 | None | -2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1019 | 19 | 12 | 15 | -4.0 | CCNC(=O)CC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 53363017 | 64470 | 0 | None | -2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1019 | 19 | 12 | 15 | -4.0 | CCNC(=O)CC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819558 | 64470 | 0 | None | -2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1019 | 19 | 12 | 15 | -4.0 | CCNC(=O)CC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 44468117 | 15551 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 502 | 9 | 1 | 6 | 4.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCCC(F)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222546 | 15551 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 502 | 9 | 1 | 6 | 4.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCCC(F)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467347 | 15749 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.2 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223261 | 15749 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.2 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44468051 | 15799 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 502 | 9 | 1 | 6 | 4.3 | CC(C)NC(=O)Cn1c(-c2cc(Cl)ccc2F)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223403 | 15799 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 502 | 9 | 1 | 6 | 4.3 | CC(C)NC(=O)Cn1c(-c2cc(Cl)ccc2F)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44465990 | 15537 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 499 | 10 | 1 | 7 | 4.0 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2nc(OCCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222464 | 15537 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 499 | 10 | 1 | 7 | 4.0 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2nc(OCCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467565 | 15413 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 455 | 5 | 1 | 6 | 3.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCCN(C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1221425 | 15413 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 455 | 5 | 1 | 6 | 3.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCCN(C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467270 | 15779 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 480 | 10 | 1 | 7 | 3.6 | COc1cccc(-c2cn3cc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223334 | 15779 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 480 | 10 | 1 | 7 | 3.6 | COc1cccc(-c2cn3cc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2010.07.037 | ||
| 44467700 | 15653 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 481 | 5 | 1 | 6 | 3.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC4(CC3)CN(C)C4)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222976 | 15653 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 481 | 5 | 1 | 6 | 3.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC4(CC3)CN(C)C4)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467848 | 15580 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 470 | 7 | 1 | 6 | 3.7 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCC3CCN(C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222689 | 15580 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 470 | 7 | 1 | 6 | 3.7 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCC3CCN(C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467698 | 15582 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 484 | 8 | 1 | 6 | 4.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCC3CCN(C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222690 | 15582 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 484 | 8 | 1 | 6 | 4.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCC3CCN(C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467845 | 15625 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 469 | 6 | 1 | 6 | 3.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCCC(N(C)C)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222836 | 15625 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 469 | 6 | 1 | 6 | 3.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCCC(N(C)C)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467847 | 15639 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 509 | 5 | 1 | 6 | 4.3 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCCC4(CCN(C)CC4)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222912 | 15639 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 509 | 5 | 1 | 6 | 4.3 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCCC4(CCN(C)CC4)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44247566 | 15750 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 485 | 9 | 1 | 7 | 3.6 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2nc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223262 | 15750 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 485 | 9 | 1 | 7 | 3.6 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2nc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 49865463 | 15801 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 481 | 10 | 1 | 8 | 3.0 | COc1cccc(-c2cn3nc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223405 | 15801 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 481 | 10 | 1 | 8 | 3.0 | COc1cccc(-c2cn3nc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2010.07.037 | ||
| 44466493 | 15815 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 9 | 1 | 7 | 3.7 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2F)cn2nc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223476 | 15815 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 9 | 1 | 7 | 3.7 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2F)cn2nc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467917 | 15535 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 478 | 10 | 1 | 7 | 3.3 | COc1cccc(-c2cn3cc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC2CC2)c1 | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222462 | 15535 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 478 | 10 | 1 | 7 | 3.3 | COc1cccc(-c2cn3cc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC2CC2)c1 | 10.1016/j.bmcl.2010.07.037 | ||
| 44468053 | 15564 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 525 | 9 | 1 | 7 | 3.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCN4CCC[C@@H]4C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222619 | 15564 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 525 | 9 | 1 | 7 | 3.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCN4CCC[C@@H]4C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467981 | 15565 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 442 | 6 | 2 | 6 | 3.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OC3CCNCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222620 | 15565 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 442 | 6 | 2 | 6 | 3.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OC3CCNCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467701 | 15651 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 495 | 5 | 1 | 6 | 3.9 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC4(CCN(C)C4)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222974 | 15651 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 495 | 5 | 1 | 6 | 3.9 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC4(CCN(C)C4)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467348 | 15829 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 498 | 8 | 1 | 6 | 4.6 | CC(C)(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223545 | 15829 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 498 | 8 | 1 | 6 | 4.6 | CC(C)(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 135192997 | 173258 | 0 | None | -562 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 461 | 8 | 0 | 7 | 3.7 | COc1ccc(-n2c(COCCF)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4538696 | 173258 | 0 | None | -562 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 461 | 8 | 0 | 7 | 3.7 | COc1ccc(-n2c(COCCF)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 44467563 | 15598 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 441 | 5 | 1 | 6 | 2.7 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCN(C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222760 | 15598 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 441 | 5 | 1 | 6 | 2.7 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCN(C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 135192932 | 170962 | 0 | None | -3019 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 443 | 7 | 0 | 7 | 3.8 | CCOCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4464246 | 170962 | 0 | None | -3019 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 443 | 7 | 0 | 7 | 3.8 | CCOCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 44467775 | 15781 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 502 | 9 | 1 | 6 | 4.3 | CC(C)NC(=O)Cn1c(-c2ccc(F)c(Cl)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223336 | 15781 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 502 | 9 | 1 | 6 | 4.3 | CC(C)NC(=O)Cn1c(-c2ccc(F)c(Cl)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44466239 | 15812 | 5 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 537 | 9 | 1 | 7 | 4.1 | CC(C)NC(=O)Cn1c(-c2ccc(F)c(C(F)(F)F)c2)cn2nc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223473 | 15812 | 5 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 537 | 9 | 1 | 7 | 4.1 | CC(C)NC(=O)Cn1c(-c2ccc(F)c(C(F)(F)F)c2)cn2nc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44465987 | 15411 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 471 | 8 | 1 | 7 | 3.2 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2nc(OCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1221422 | 15411 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 471 | 8 | 1 | 7 | 3.2 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2nc(OCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 53358902 | 62038 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 485 | 5 | 1 | 7 | 3.3 | COc1ccc2c(c1)c(C(=O)N1CCCNCC1)c(C)n2S(=O)(=O)c1ccc(OC)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779234 | 62038 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 485 | 5 | 1 | 7 | 3.3 | COc1ccc2c(c1)c(C(=O)N1CCCNCC1)c(C)n2S(=O)(=O)c1ccc(OC)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 135192983 | 175544 | 8 | None | -2511 | 4 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4591825 | 175544 | 8 | None | -2511 | 4 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 44467978 | 15536 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 520 | 10 | 1 | 7 | 3.7 | COc1cccc(-c2cn3cc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NCC(F)(F)F)c1 | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222463 | 15536 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 520 | 10 | 1 | 7 | 3.7 | COc1cccc(-c2cn3cc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NCC(F)(F)F)c1 | 10.1016/j.bmcl.2010.07.037 | ||
| 49865507 | 15814 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 535 | 10 | 1 | 8 | 3.8 | CC(C)NC(=O)Cn1c(-c2cccc(OC(F)(F)F)c2)cn2nc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223475 | 15814 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 535 | 10 | 1 | 8 | 3.8 | CC(C)NC(=O)Cn1c(-c2cccc(OC(F)(F)F)c2)cn2nc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467702 | 15627 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 497 | 8 | 1 | 6 | 4.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC(CCN(C)C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222838 | 15627 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 497 | 8 | 1 | 6 | 4.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC(CCN(C)C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 135193003 | 174812 | 0 | None | -190 | 3 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 424 | 5 | 0 | 7 | 3.3 | COc1ccc(-n2c(CC#N)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4575160 | 174812 | 0 | None | -190 | 3 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 424 | 5 | 0 | 7 | 3.3 | COc1ccc(-n2c(CC#N)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 44467982 | 15579 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 510 | 7 | 1 | 6 | 4.7 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OC3CCN(C4CCCC4)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222688 | 15579 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 510 | 7 | 1 | 6 | 4.7 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OC3CCN(C4CCCC4)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467771 | 15628 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 509 | 6 | 1 | 6 | 4.4 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC(N4CCCCC4)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222839 | 15628 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 509 | 6 | 1 | 6 | 4.4 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC(N4CCCCC4)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467979 | 15798 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 536 | 9 | 1 | 6 | 4.7 | CC(C)NC(=O)Cn1c(-c2ccc(F)c(C(F)(F)F)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223402 | 15798 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 536 | 9 | 1 | 6 | 4.7 | CC(C)NC(=O)Cn1c(-c2ccc(F)c(C(F)(F)F)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44466236 | 15813 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 503 | 9 | 1 | 7 | 3.7 | CC(C)NC(=O)Cn1c(-c2ccc(F)c(Cl)c2)cn2nc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223474 | 15813 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 503 | 9 | 1 | 7 | 3.7 | CC(C)NC(=O)Cn1c(-c2ccc(F)c(Cl)c2)cn2nc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467566 | 15637 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 469 | 6 | 1 | 6 | 3.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N(C)C3CCN(C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222910 | 15637 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 469 | 6 | 1 | 6 | 3.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N(C)C3CCN(C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467634 | 15597 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 470 | 7 | 1 | 6 | 3.7 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCC3CCCN(C)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222759 | 15597 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 470 | 7 | 1 | 6 | 3.7 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCC3CCCN(C)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467846 | 15626 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 455 | 6 | 1 | 6 | 3.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC(N(C)C)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222837 | 15626 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 455 | 6 | 1 | 6 | 3.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC(N(C)C)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467913 | 15638 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 481 | 5 | 1 | 6 | 3.6 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC4(CCCN4C)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222911 | 15638 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 481 | 5 | 1 | 6 | 3.6 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC4(CCCN4C)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 135192979 | 175265 | 0 | None | -309 | 4 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 485 | 7 | 0 | 8 | 3.5 | COc1ccc(-n2c(CO[C@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4585239 | 175265 | 0 | None | -309 | 4 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 485 | 7 | 0 | 8 | 3.5 | COc1ccc(-n2c(CO[C@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 135192928 | 174332 | 0 | None | -1949 | 4 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2C[C@@H]3C[C@]3(c3cccc(F)c3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4564411 | 174332 | 0 | None | -1949 | 4 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2C[C@@H]3C[C@]3(c3cccc(F)c3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 44468115 | 15552 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 538 | 9 | 1 | 6 | 4.6 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCC(C(F)(F)F)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222547 | 15552 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 538 | 9 | 1 | 6 | 4.6 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCC(C(F)(F)F)C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467916 | 15553 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 552 | 9 | 1 | 6 | 5.0 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCC(C(F)(F)F)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222548 | 15553 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 552 | 9 | 1 | 6 | 5.0 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCC(C(F)(F)F)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467632 | 15636 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 6 | 1 | 6 | 4.0 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC(N4CCCC4)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222909 | 15636 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 6 | 1 | 6 | 4.0 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC(N4CCCC4)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44468118 | 15554 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 525 | 9 | 1 | 7 | 3.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCN4CCC[C@H]4C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222549 | 15554 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 525 | 9 | 1 | 7 | 3.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCN4CCC[C@H]4C3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467914 | 15566 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 456 | 6 | 1 | 6 | 3.4 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OC3CCN(C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222621 | 15566 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 456 | 6 | 1 | 6 | 3.4 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OC3CCN(C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44468052 | 15567 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 484 | 7 | 1 | 6 | 4.2 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OC3CCN(C(C)C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222622 | 15567 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 484 | 7 | 1 | 6 | 4.2 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OC3CCN(C(C)C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467564 | 15599 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 469 | 6 | 1 | 6 | 3.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC(N(C)C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222761 | 15599 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 469 | 6 | 1 | 6 | 3.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC(N(C)C)CC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467349 | 15830 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 496 | 10 | 1 | 6 | 4.2 | O=C(Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223546 | 15830 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 496 | 10 | 1 | 6 | 4.2 | O=C(Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.037 | ||
| 44467773 | 15831 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 496 | 9 | 1 | 6 | 4.3 | O=C(Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O)NC1CCC1 | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223547 | 15831 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 496 | 9 | 1 | 6 | 4.3 | O=C(Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O)NC1CCC1 | 10.1016/j.bmcl.2010.07.037 | ||
| 44467774 | 15583 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 484 | 8 | 1 | 6 | 4.2 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCC3CCCCN3C)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222691 | 15583 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 484 | 8 | 1 | 6 | 4.2 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCC3CCCCN3C)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467699 | 15652 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 467 | 5 | 2 | 6 | 3.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC4(CC3)CNC4)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1222975 | 15652 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 467 | 5 | 2 | 6 | 3.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC4(CC3)CNC4)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467497 | 15780 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 468 | 9 | 1 | 6 | 3.7 | CC(C)NC(=O)Cn1c(-c2cccc(F)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223335 | 15780 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 468 | 9 | 1 | 6 | 3.7 | CC(C)NC(=O)Cn1c(-c2cccc(F)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467635 | 15800 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 498 | 9 | 1 | 6 | 4.5 | Cc1ccc(Cl)cc1-c1cn2cc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223404 | 15800 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 498 | 9 | 1 | 6 | 4.5 | Cc1ccc(Cl)cc1-c1cn2cc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C | 10.1016/j.bmcl.2010.07.037 | ||
| 44467636 | 15778 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.2 | CC(C)NC(=O)Cn1c(-c2ccccc2Cl)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223333 | 15778 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.2 | CC(C)NC(=O)Cn1c(-c2ccccc2Cl)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 44467496 | 15832 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 466 | 10 | 1 | 7 | 3.2 | CCNC(=O)Cn1c(-c2cccc(OC)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| CHEMBL1223548 | 15832 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 466 | 10 | 1 | 7 | 3.2 | CCNC(=O)Cn1c(-c2cccc(OC)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.07.037 | ||
| 53317994 | 56473 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 513 | 11 | 0 | 6 | 5.8 | CCN(CC)Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643586 | 56473 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 513 | 11 | 0 | 6 | 5.8 | CCN(CC)Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53316695 | 56474 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 527 | 10 | 1 | 6 | 6.1 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC(C)(C)C)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643587 | 56474 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 527 | 10 | 1 | 6 | 6.1 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC(C)(C)C)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53323297 | 56475 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 499 | 11 | 1 | 6 | 5.5 | CCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643588 | 56475 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 499 | 11 | 1 | 6 | 5.5 | CCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53321939 | 56482 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 472 | 8 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N(Cc2csc(NC(=O)c3cccnc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643595 | 56482 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 472 | 8 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N(Cc2csc(NC(=O)c3cccnc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53324623 | 56490 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 524 | 12 | 1 | 4 | 6.5 | CCCCNCc1ccc(-c2cc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)ccc2F)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643602 | 56490 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 524 | 12 | 1 | 4 | 6.5 | CCCCNCc1ccc(-c2cc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)ccc2F)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 50915110 | 56501 | 5 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 529 | 12 | 1 | 7 | 5.1 | CCCCNCc1ccc(-c2nc(CN(C3CCOCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643612 | 56501 | 5 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 529 | 12 | 1 | 7 | 5.1 | CCCCNCc1ccc(-c2nc(CN(C3CCOCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 42611262 | 179977 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL475395 | 179977 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 53325931 | 56486 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 521 | 12 | 1 | 5 | 6.3 | CCCCNCc1ccc(-c2cccc(C(C)N(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643599 | 56486 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 521 | 12 | 1 | 5 | 6.3 | CCCCNCc1ccc(-c2cccc(C(C)N(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53324324 | 56492 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 513 | 12 | 1 | 6 | 5.8 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccccc3OC)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643604 | 56492 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 513 | 12 | 1 | 6 | 5.8 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccccc3OC)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53324625 | 56493 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 543 | 13 | 1 | 7 | 5.9 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)c(OC)c3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643605 | 56493 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 543 | 13 | 1 | 7 | 5.9 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)c(OC)c3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53317995 | 56494 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 541 | 13 | 1 | 6 | 6.6 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC(C)C)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643606 | 56494 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 541 | 13 | 1 | 6 | 6.6 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC(C)C)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53325933 | 56502 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 563 | 12 | 1 | 8 | 4.1 | CCCCNCc1ccc(-c2nc(CN(C3CCS(=O)(=O)C3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643613 | 56502 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 563 | 12 | 1 | 8 | 4.1 | CCCCNCc1ccc(-c2nc(CN(C3CCS(=O)(=O)C3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 50941635 | 56471 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 513 | 12 | 1 | 6 | 5.8 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643584 | 56471 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 513 | 12 | 1 | 6 | 5.8 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53319343 | 56483 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 472 | 8 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N(Cc2csc(NC(=O)c3ccncc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643596 | 56483 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 472 | 8 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N(Cc2csc(NC(=O)c3ccncc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53316700 | 56495 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 567 | 12 | 1 | 6 | 6.7 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643607 | 56495 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 567 | 12 | 1 | 6 | 6.7 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53316694 | 56472 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 513 | 11 | 1 | 6 | 5.7 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC(C)C)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643585 | 56472 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 513 | 11 | 1 | 6 | 5.7 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC(C)C)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53316701 | 56499 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 540 | 12 | 2 | 6 | 5.8 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3cccc(NC(C)=O)c3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643610 | 56499 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 540 | 12 | 2 | 6 | 5.8 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3cccc(NC(C)=O)c3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53324622 | 56478 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 577 | 12 | 1 | 7 | 6.3 | COc1ccc(CNCc2ccc(-c3nc(CN(C4CCCC4)S(=O)(=O)c4ccc(OC)cc4)cs3)cc2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643591 | 56478 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 577 | 12 | 1 | 7 | 6.3 | COc1ccc(CNCc2ccc(-c3nc(CN(C4CCCC4)S(=O)(=O)c4ccc(OC)cc4)cs3)cc2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53323298 | 56476 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 553 | 11 | 1 | 6 | 6.6 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC4CCCCC4)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643589 | 56476 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 553 | 11 | 1 | 6 | 6.6 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC4CCCCC4)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53320648 | 56485 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 437 | 8 | 1 | 6 | 3.9 | COc1ccc(S(=O)(=O)N(Cc2csc(NC(=O)C(C)C)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643598 | 56485 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 437 | 8 | 1 | 6 | 3.9 | COc1ccc(S(=O)(=O)N(Cc2csc(NC(=O)C(C)C)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53321940 | 56489 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 524 | 12 | 1 | 4 | 6.5 | CCCCNCc1ccc(-c2ccc(F)c(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)c2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643601 | 56489 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 524 | 12 | 1 | 4 | 6.5 | CCCCNCc1ccc(-c2ccc(F)c(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)c2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53321851 | 56279 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 507 | 12 | 1 | 5 | 5.8 | CCCCNCc1ccc(-c2cccc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1641623 | 56279 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 507 | 12 | 1 | 5 | 5.8 | CCCCNCc1ccc(-c2cccc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53325929 | 56477 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 537 | 11 | 1 | 7 | 5.8 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCc4ccoc4)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643590 | 56477 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 537 | 11 | 1 | 7 | 5.8 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCc4ccoc4)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53316698 | 56484 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 501 | 9 | 1 | 7 | 4.5 | COc1ccc(C(=O)Nc2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643597 | 56484 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 501 | 9 | 1 | 7 | 4.5 | COc1ccc(C(=O)Nc2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53317996 | 56496 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 501 | 11 | 1 | 5 | 6.0 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643608 | 56496 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 501 | 11 | 1 | 5 | 6.0 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 45483204 | 196210 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1204126 | 196210 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1204403 | 196210 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL572709 | 196210 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53316696 | 56479 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 471 | 8 | 1 | 6 | 4.1 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643592 | 56479 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 471 | 8 | 1 | 6 | 4.1 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53324624 | 56491 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 513 | 12 | 1 | 6 | 5.8 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3cccc(OC)c3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643603 | 56491 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 513 | 12 | 1 | 6 | 5.8 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3cccc(OC)c3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 2202 | 2720 | 23 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.11.061 | ||
| 9895468 | 2720 | 23 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL582857 | 2720 | 23 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.11.061 | ||
| DB12643 | 2720 | 23 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.11.061 | ||
| 53316697 | 56480 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 499 | 8 | 0 | 6 | 4.7 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643593 | 56480 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 499 | 8 | 0 | 6 | 4.7 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53317997 | 56497 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 483 | 11 | 1 | 5 | 5.8 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccccc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643609 | 56497 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 483 | 11 | 1 | 5 | 5.8 | CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccccc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53325932 | 56500 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 515 | 12 | 1 | 7 | 4.7 | CCCCNCc1ccc(-c2nc(CN([C@@H]3CCOC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643611 | 56500 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 515 | 12 | 1 | 7 | 4.7 | CCCCNCc1ccc(-c2nc(CN([C@@H]3CCOC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53325930 | 56481 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 472 | 8 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C(=O)O)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643594 | 56481 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 472 | 8 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C(=O)O)cc3)n2)C2CCCC2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 53316699 | 56488 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 512 | 12 | 1 | 5 | 6.4 | CCCCNCc1ccc(-c2csc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)c2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL1643600 | 56488 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 512 | 12 | 1 | 5 | 6.4 | CCCCNCc1ccc(-c2csc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)c2)cc1 | 10.1016/j.bmcl.2010.11.061 | ||
| 25109888 | 32768 | 1 | None | -14 | 2 | Human | 3.9 | pPotency | = | 3.9 | Functional | ChEMBL | 431 | 3 | 1 | 5 | 5.8 | COc1cccc(C2c3c(ncn(-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)c1 | nan | ||
| CHEMBL1415996 | 32768 | 1 | None | -14 | 2 | Human | 3.9 | pPotency | = | 3.9 | Functional | ChEMBL | 431 | 3 | 1 | 5 | 5.8 | COc1cccc(C2c3c(ncn(-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)c1 | nan | ||
| 25109895 | 52474 | 0 | None | -24 | 2 | Human | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 459 | 2 | 1 | 6 | 5.6 | N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1C2c1ccc2c(c1)OCCO2 | nan | ||
| CHEMBL1594658 | 52474 | 0 | None | -24 | 2 | Human | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 459 | 2 | 1 | 6 | 5.6 | N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1C2c1ccc2c(c1)OCCO2 | nan | ||
| 25109893 | 54219 | 1 | None | -1 | 2 | Human | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 431 | 3 | 1 | 5 | 5.8 | COc1ccccc1C1c2c(ncn(-c3ccccc3)c2=N)Oc2ccc3ccccc3c21 | nan | ||
| CHEMBL1609894 | 54219 | 1 | None | -1 | 2 | Human | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 431 | 3 | 1 | 5 | 5.8 | COc1ccccc1C1c2c(ncn(-c3ccccc3)c2=N)Oc2ccc3ccccc3c21 | nan | ||
| 25109898 | 27729 | 0 | None | -3 | 2 | Human | 4.4 | pPotency | = | 4.4 | Functional | ChEMBL | 482 | 6 | 1 | 7 | 4.5 | COc1cccc(C2c3c(ncn(CCCN4CCOCC4)c3=N)Oc3ccc4ccccc4c32)c1 | nan | ||
| CHEMBL1371996 | 27729 | 0 | None | -3 | 2 | Human | 4.4 | pPotency | = | 4.4 | Functional | ChEMBL | 482 | 6 | 1 | 7 | 4.5 | COc1cccc(C2c3c(ncn(CCCN4CCOCC4)c3=N)Oc3ccc4ccccc4c32)c1 | nan | ||
| 25109892 | 40696 | 0 | None | -34 | 2 | Human | 4.1 | pPotency | = | 4.1 | Functional | ChEMBL | 445 | 2 | 1 | 6 | 5.5 | N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1C2c1ccc2c(c1)OCO2 | nan | ||
| CHEMBL1486685 | 40696 | 0 | None | -34 | 2 | Human | 4.1 | pPotency | = | 4.1 | Functional | ChEMBL | 445 | 2 | 1 | 6 | 5.5 | N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1C2c1ccc2c(c1)OCO2 | nan | ||
| 2042 | 2935 | 52 | None | -5 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 2174 | 2935 | 52 | None | -5 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 2176 | 2935 | 52 | None | -5 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 439302 | 2935 | 52 | None | -5 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| CHEMBL395429 | 2935 | 52 | None | -5 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| DB00107 | 2935 | 52 | None | -5 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 54584266 | 60855 | 0 | None | 32 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 1145 | 20 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccccc2N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765664 | 60855 | 0 | None | 32 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 1145 | 20 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccccc2N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 118720278 | 115350 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 1023 | 20 | 11 | 13 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354588 | 115350 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 1023 | 20 | 11 | 13 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720279 | 115351 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 1023 | 20 | 11 | 13 | -1.8 | 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)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354589 | 115351 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 1023 | 20 | 11 | 13 | -1.8 | 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)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 155513872 | 169231 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 1128 | 18 | 11 | 13 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCc2cccs2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4439313 | 169231 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 1128 | 18 | 11 | 13 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCc2cccs2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118719820 | 115244 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 1007 | 21 | 11 | 14 | -1.9 | CCCCN(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 | ||
| CHEMBL3353931 | 115244 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 1007 | 21 | 11 | 14 | -1.9 | CCCCN(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 | ||
| 118720277 | 115349 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 988 | 22 | 10 | 12 | -1.5 | CCCCCN(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 | ||
| CHEMBL3354587 | 115349 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 988 | 22 | 10 | 12 | -1.5 | CCCCCN(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 | ||
| 2181 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2182 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 27991 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL1429 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL264448 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00035 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2181 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 2182 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 27991 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| CHEMBL1429 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| CHEMBL264448 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| DB00035 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 118719835 | 115259 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353946 | 115259 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 90469674 | 171256 | 6 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 945 | 14 | 10 | 11 | 0.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4468523 | 171256 | 6 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 945 | 14 | 10 | 11 | 0.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476347 | 174763 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 975 | 14 | 10 | 11 | 0.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4574065 | 174763 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 975 | 14 | 10 | 11 | 0.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118719824 | 115248 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 1017 | 19 | 11 | 14 | -3.1 | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](O)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm500365s | ||
| CHEMBL3353935 | 115248 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 1017 | 19 | 11 | 14 | -3.1 | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](O)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm500365s | ||
| 118476362 | 170381 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1048 | 17 | 11 | 13 | -0.2 | CCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4455496 | 170381 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1048 | 17 | 11 | 13 | -0.2 | CCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476336 | 170645 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1016 | 16 | 11 | 12 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4459424 | 170645 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1016 | 16 | 11 | 12 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 132095331 | 174652 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1060 | 17 | 12 | 13 | -0.8 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4571464 | 174652 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1060 | 17 | 12 | 13 | -0.8 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118719840 | 115264 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccnc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353951 | 115264 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccnc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719837 | 115261 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1059 | 20 | 11 | 14 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353948 | 115261 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1059 | 20 | 11 | 14 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118476383 | 169191 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 957 | 14 | 10 | 10 | 0.1 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4438723 | 169191 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 957 | 14 | 10 | 10 | 0.1 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 90469675 | 170851 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 975 | 15 | 11 | 12 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4462743 | 170851 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 975 | 15 | 11 | 12 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476343 | 173525 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 963 | 14 | 10 | 12 | -0.1 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4544907 | 173525 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 963 | 14 | 10 | 12 | -0.1 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476359 | 170843 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1026 | 16 | 12 | 12 | -1.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4462616 | 170843 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1026 | 16 | 12 | 12 | -1.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476365 | 173278 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1078 | 17 | 11 | 12 | 0.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4539100 | 173278 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1078 | 17 | 11 | 12 | 0.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476346 | 173943 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1060 | 17 | 12 | 13 | -0.2 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4555263 | 173943 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1060 | 17 | 12 | 13 | -0.2 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118720287 | 115361 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 1022 | 21 | 10 | 12 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354599 | 115361 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 1022 | 21 | 10 | 12 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720286 | 115360 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1038 | 21 | 11 | 13 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354598 | 115360 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1038 | 21 | 11 | 13 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118476337 | 173017 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1034 | 16 | 11 | 13 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4533159 | 173017 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1034 | 16 | 11 | 13 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 90468623 | 173590 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1016 | 16 | 11 | 12 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4546884 | 173590 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1016 | 16 | 11 | 12 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 76073634 | 115356 | 2 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1041 | 20 | 11 | 13 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354594 | 115356 | 2 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1041 | 20 | 11 | 13 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 449224 | 168409 | 9 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL439044 | 168409 | 9 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118476384 | 170306 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 939 | 14 | 11 | 11 | -0.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4454160 | 170306 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 939 | 14 | 11 | 11 | -0.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118719839 | 115263 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353950 | 115263 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720289 | 115363 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1029 | 20 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354601 | 115363 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1029 | 20 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118476366 | 173481 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1044 | 18 | 11 | 12 | 0.3 | CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4543908 | 173481 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1044 | 18 | 11 | 12 | 0.3 | CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118719836 | 115260 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(C)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353947 | 115260 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(C)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118476329 | 172595 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1044 | 17 | 11 | 12 | 0.2 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4521807 | 172595 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1044 | 17 | 11 | 12 | 0.2 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476332 | 168975 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 987 | 15 | 11 | 11 | -0.5 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4435502 | 168975 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 987 | 15 | 11 | 11 | -0.5 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 44419026 | 167934 | 15 | None | - | 2 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL435323 | 167934 | 15 | None | - | 2 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 2042 | 2935 | 52 | None | -645 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2174 | 2935 | 52 | None | -645 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2176 | 2935 | 52 | None | -645 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 439302 | 2935 | 52 | None | -645 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL395429 | 2935 | 52 | None | -645 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00107 | 2935 | 52 | None | -645 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 118719845 | 115269 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1047 | 20 | 11 | 15 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353956 | 115269 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1047 | 20 | 11 | 15 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118476367 | 169634 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1030 | 17 | 11 | 12 | -0.1 | CCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4445168 | 169634 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1030 | 17 | 11 | 12 | -0.1 | CCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118719833 | 115257 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1041 | 20 | 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(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 | ||
| CHEMBL3353944 | 115257 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1041 | 20 | 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(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 | ||
| 118476357 | 175017 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1032 | 16 | 12 | 13 | -1.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4579754 | 175017 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1032 | 16 | 12 | 13 | -1.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118719841 | 115265 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccncc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353952 | 115265 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccncc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719831 | 115255 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 1009 | 21 | 11 | 15 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353942 | 115255 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 1009 | 21 | 11 | 15 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719834 | 115258 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353945 | 115258 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118476356 | 171643 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 1042 | 17 | 11 | 12 | -0.1 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC2CC2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4473843 | 171643 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 1042 | 17 | 11 | 12 | -0.1 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC2CC2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118720264 | 115337 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 991 | 21 | 11 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[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 | ||
| CHEMBL3354575 | 115337 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 991 | 21 | 11 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[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 | ||
| 118476348 | 172950 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 1096 | 17 | 11 | 13 | 0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4531053 | 172950 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 1096 | 17 | 11 | 13 | 0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476341 | 170115 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 1002 | 15 | 11 | 12 | -0.8 | CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4451692 | 170115 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 1002 | 15 | 11 | 12 | -0.8 | CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118720276 | 115348 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 1004 | 22 | 11 | 13 | -1.8 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=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 | ||
| CHEMBL3354586 | 115348 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 1004 | 22 | 11 | 13 | -1.8 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=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 | ||
| 118719827 | 115251 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1021 | 22 | 11 | 14 | -1.5 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3353938 | 115251 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1021 | 22 | 11 | 14 | -1.5 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118476360 | 172990 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 975 | 15 | 11 | 12 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4532363 | 172990 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 975 | 15 | 11 | 12 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 118476361 | 173163 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1034 | 16 | 11 | 13 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4536454 | 173163 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1034 | 16 | 11 | 13 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118720288 | 115362 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1029 | 20 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)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 | 115362 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1029 | 20 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)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 | ||
| 118719838 | 115262 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1071 | 21 | 11 | 15 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(OC)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353949 | 115262 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1071 | 21 | 11 | 15 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(OC)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720280 | 115352 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1007 | 20 | 10 | 12 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354590 | 115352 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1007 | 20 | 10 | 12 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720272 | 115344 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 990 | 21 | 11 | 13 | -2.2 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=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 | ||
| CHEMBL3354582 | 115344 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 990 | 21 | 11 | 13 | -2.2 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=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 | ||
| 44232512 | 115359 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1038 | 21 | 11 | 13 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354597 | 115359 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1038 | 21 | 11 | 13 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118476385 | 174039 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1038 | 17 | 11 | 11 | 0.1 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4557473 | 174039 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1038 | 17 | 11 | 11 | 0.1 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118719829 | 115253 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1035 | 23 | 11 | 14 | -1.1 | CCCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3353940 | 115253 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1035 | 23 | 11 | 14 | -1.1 | CCCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118476358 | 170101 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1028 | 16 | 11 | 12 | -0.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NC2CC2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4451555 | 170101 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1028 | 16 | 11 | 12 | -0.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NC2CC2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476331 | 172954 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1060 | 17 | 12 | 13 | -0.8 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4531173 | 172954 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1060 | 17 | 12 | 13 | -0.8 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118719821 | 115245 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1005 | 19 | 11 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353932 | 115245 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1005 | 19 | 11 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720275 | 115347 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1004 | 22 | 11 | 13 | -1.8 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354585 | 115347 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1004 | 22 | 11 | 13 | -1.8 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118476338 | 172819 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 957 | 15 | 12 | 13 | -1.5 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4528032 | 172819 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 957 | 15 | 12 | 13 | -1.5 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476355 | 173292 | 3 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1044 | 17 | 10 | 12 | 0.3 | CCN(CC)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4539370 | 173292 | 3 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1044 | 17 | 10 | 12 | 0.3 | CCN(CC)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 155523986 | 170343 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 957 | 15 | 12 | 13 | -1.5 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4454891 | 170343 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 957 | 15 | 12 | 13 | -1.5 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476333 | 169044 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1030 | 16 | 11 | 12 | -0.1 | CC(C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4436571 | 169044 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1030 | 16 | 11 | 12 | -0.1 | CC(C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118719842 | 115266 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1055 | 21 | 11 | 14 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353953 | 115266 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1055 | 21 | 11 | 14 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720260 | 115333 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1061 | 21 | 11 | 15 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2cccs2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354571 | 115333 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1061 | 21 | 11 | 15 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2cccs2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720283 | 115355 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1022 | 20 | 10 | 12 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354593 | 115355 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1022 | 20 | 10 | 12 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 90469608 | 171694 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 975 | 15 | 11 | 12 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4474518 | 171694 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 975 | 15 | 11 | 12 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118719819 | 115243 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1005 | 20 | 11 | 14 | -2.3 | 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)CC2CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353930 | 115243 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1005 | 20 | 11 | 14 | -2.3 | 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)CC2CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719818 | 115242 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 991 | 19 | 11 | 14 | -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)C2CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353929 | 115242 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 991 | 19 | 11 | 14 | -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)C2CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719844 | 115268 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1056 | 21 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(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 | 115268 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1056 | 21 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(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 | ||
| 118720285 | 115358 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1025 | 20 | 10 | 12 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354596 | 115358 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1025 | 20 | 10 | 12 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719843 | 115267 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1056 | 21 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccccn2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353954 | 115267 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1056 | 21 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccccn2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 90469676 | 173833 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 955 | 15 | 11 | 12 | -0.9 | Cc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccs3)NC2=O)cc1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4552500 | 173833 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 955 | 15 | 11 | 12 | -0.9 | Cc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccs3)NC2=O)cc1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118720271 | 115343 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 990 | 21 | 11 | 13 | -2.2 | CCCCN(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 | ||
| CHEMBL3354581 | 115343 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 990 | 21 | 11 | 13 | -2.2 | CCCCN(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 | ||
| 118720265 | 115338 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 991 | 21 | 11 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354576 | 115338 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 991 | 21 | 11 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720281 | 115353 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1038 | 20 | 11 | 13 | -1.5 | 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)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354591 | 115353 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1038 | 20 | 11 | 13 | -1.5 | 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)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720290 | 115364 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1013 | 20 | 10 | 13 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354602 | 115364 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1013 | 20 | 10 | 13 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720282 | 115354 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1038 | 20 | 11 | 13 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354592 | 115354 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1038 | 20 | 11 | 13 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720284 | 115357 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1041 | 20 | 11 | 13 | -1.6 | 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)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354595 | 115357 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1041 | 20 | 11 | 13 | -1.6 | 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)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720259 | 115332 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 1031 | 20 | 11 | 15 | -1.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccco2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354570 | 115332 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 1031 | 20 | 11 | 15 | -1.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccco2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 155535667 | 171493 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1116 | 18 | 11 | 14 | 0.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCc2cccs2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4472007 | 171493 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1116 | 18 | 11 | 14 | 0.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCc2cccs2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118719828 | 115252 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 1019 | 19 | 11 | 14 | -1.8 | 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)C2CCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353939 | 115252 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 1019 | 19 | 11 | 14 | -1.8 | 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)C2CCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 24900844 | 62006 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 502 | 8 | 1 | 6 | 4.5 | COc1cc(-c2nc3ccc(-c4cccc(CN(C)C)c4)cc3c(=O)n2CC(=O)NC(C)C)ccc1F | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778961 | 62006 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 502 | 8 | 1 | 6 | 4.5 | COc1cc(-c2nc3ccc(-c4cccc(CN(C)C)c4)cc3c(=O)n2CC(=O)NC(C)C)ccc1F | 10.1016/j.bmcl.2011.04.022 | ||
| 53320829 | 58310 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 506 | 11 | 1 | 8 | 2.7 | COc1ccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NCC2CC2)cc1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684403 | 58310 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 506 | 11 | 1 | 8 | 2.7 | COc1ccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NCC2CC2)cc1 | 10.1016/j.bmcl.2010.12.081 | ||
| 54585722 | 61988 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 480 | 8 | 1 | 5 | 4.7 | CC(C)CNC(=O)Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778943 | 61988 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 480 | 8 | 1 | 5 | 4.7 | CC(C)CNC(=O)Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| 49865673 | 15883 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 490 | 10 | 2 | 7 | 2.8 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCC(O)CC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223758 | 15883 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 490 | 10 | 2 | 7 | 2.8 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCC(O)CC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| 53324811 | 58317 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 494 | 10 | 1 | 7 | 2.8 | O=C(Cn1c(-c2cccc(F)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684410 | 58317 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 494 | 10 | 1 | 7 | 2.8 | O=C(Cn1c(-c2cccc(F)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 46934434 | 15906 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 476 | 10 | 1 | 7 | 2.7 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223814 | 15906 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 476 | 10 | 1 | 7 | 2.7 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| 54584780 | 61980 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 438 | 7 | 2 | 5 | 3.7 | NCc1cccc(-c2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778935 | 61980 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 438 | 7 | 2 | 5 | 3.7 | NCc1cccc(-c2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 53319604 | 58329 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 484 | 9 | 1 | 7 | 3.0 | CCNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684556 | 58329 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 484 | 9 | 1 | 7 | 3.0 | CCNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 53316871 | 58314 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 490 | 10 | 1 | 7 | 3.0 | Cc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NCC2CC2)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684407 | 58314 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 490 | 10 | 1 | 7 | 3.0 | Cc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NCC2CC2)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| 53320890 | 58319 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 477 | 10 | 1 | 8 | 2.1 | O=C(Cn1c(-c2cccnc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684546 | 58319 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 477 | 10 | 1 | 8 | 2.1 | O=C(Cn1c(-c2cccnc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 53322162 | 58309 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 490 | 10 | 1 | 7 | 3.0 | Cc1ccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NCC2CC2)cc1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684402 | 58309 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 490 | 10 | 1 | 7 | 3.0 | Cc1ccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NCC2CC2)cc1 | 10.1016/j.bmcl.2010.12.081 | ||
| 53326089 | 58315 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 506 | 11 | 1 | 8 | 2.7 | COc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NCC2CC2)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684408 | 58315 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 506 | 11 | 1 | 8 | 2.7 | COc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NCC2CC2)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| 53322269 | 58338 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 478 | 10 | 1 | 7 | 3.5 | CCNC(=O)Cn1c(-c2cccc(OC)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684567 | 58338 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 478 | 10 | 1 | 7 | 3.5 | CCNC(=O)Cn1c(-c2cccc(OC)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 53322270 | 58342 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 490 | 10 | 1 | 7 | 3.6 | COc1cccc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC2CC2)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684571 | 58342 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 490 | 10 | 1 | 7 | 3.6 | COc1cccc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC2CC2)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| 49865611 | 15848 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 489 | 10 | 1 | 7 | 2.6 | CN1CCN(CCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223632 | 15848 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 489 | 10 | 1 | 7 | 2.6 | CN1CCN(CCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| 49865670 | 15880 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 460 | 10 | 1 | 6 | 3.5 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223755 | 15880 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 460 | 10 | 1 | 6 | 3.5 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| 54584781 | 61990 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 6 | 1 | 5 | 4.9 | CC(C)(C)NC(=O)Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778945 | 61990 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 6 | 1 | 5 | 4.9 | CC(C)(C)NC(=O)Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| 54581879 | 61996 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 488 | 7 | 1 | 5 | 5.0 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(-c3cccc(CN(C)C)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778951 | 61996 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 488 | 7 | 1 | 5 | 5.0 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(-c3cccc(CN(C)C)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| 53326194 | 58339 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 482 | 9 | 1 | 6 | 4.1 | CCNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684568 | 58339 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 482 | 9 | 1 | 6 | 4.1 | CCNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 54584783 | 61995 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 524 | 8 | 1 | 6 | 5.3 | COc1cccc(-c2nc3ccc(-c4cccc(CN5CCCCC5)c4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778950 | 61995 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 524 | 8 | 1 | 6 | 5.3 | COc1cccc(-c2nc3ccc(-c4cccc(CN5CCCCC5)c4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 11677610 | 58344 | 11 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 492 | 10 | 1 | 7 | 3.9 | COc1cccc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684573 | 58344 | 11 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 492 | 10 | 1 | 7 | 3.9 | COc1cccc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| 49866180 | 16084 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 611 | 14 | 4 | 8 | 3.8 | CC(C)C[C@@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1224531 | 16084 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 611 | 14 | 4 | 8 | 3.8 | CC(C)C[C@@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1016/j.bmcl.2010.07.118 | ||
| 46934434 | 15906 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 10 | 1 | 7 | 2.7 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223814 | 15906 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 10 | 1 | 7 | 2.7 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| 49866223 | 16092 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 448 | 10 | 2 | 6 | 3.3 | CC(C)C[C@H](N)COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1224611 | 16092 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 448 | 10 | 2 | 6 | 3.3 | CC(C)C[C@H](N)COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 | 10.1016/j.bmcl.2010.07.118 | ||
| 49865610 | 15847 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 475 | 9 | 1 | 7 | 2.2 | CN1CCN(CCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223631 | 15847 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 475 | 9 | 1 | 7 | 2.2 | CN1CCN(CCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| 53323615 | 58337 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 468 | 8 | 1 | 6 | 3.7 | CNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684566 | 58337 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 468 | 8 | 1 | 6 | 3.7 | CNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 54581878 | 61987 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 8 | 1 | 5 | 4.5 | CCCNC(=O)Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778942 | 61987 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 8 | 1 | 5 | 4.5 | CCCNC(=O)Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| 54583808 | 61992 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 492 | 7 | 1 | 5 | 5.0 | O=C(Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O)NC1CCCC1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778947 | 61992 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 492 | 7 | 1 | 5 | 5.0 | O=C(Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O)NC1CCCC1 | 10.1016/j.bmcl.2011.04.022 | ||
| 53322231 | 58325 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 527 | 10 | 1 | 8 | 3.2 | O=C(Cn1c(-c2cnc3ccccc3c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684552 | 58325 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 527 | 10 | 1 | 8 | 3.2 | O=C(Cn1c(-c2cnc3ccccc3c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 53324234 | 58312 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 494 | 10 | 1 | 7 | 2.8 | O=C(Cn1c(-c2ccc(F)cc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684405 | 58312 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 494 | 10 | 1 | 7 | 2.8 | O=C(Cn1c(-c2ccc(F)cc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 53316999 | 58336 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 464 | 9 | 1 | 7 | 3.1 | CNC(=O)Cn1c(-c2cccc(OC)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684565 | 58336 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 464 | 9 | 1 | 7 | 3.1 | CNC(=O)Cn1c(-c2cccc(OC)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 54584782 | 61991 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 464 | 7 | 1 | 5 | 4.2 | O=C(Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O)NC1CC1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778946 | 61991 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 464 | 7 | 1 | 5 | 4.2 | O=C(Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O)NC1CC1 | 10.1016/j.bmcl.2011.04.022 | ||
| 49865645 | 15861 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 475 | 10 | 2 | 7 | 2.3 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCNCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223696 | 15861 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 475 | 10 | 2 | 7 | 2.3 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCNCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| 53324873 | 58333 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 496 | 9 | 1 | 7 | 3.1 | O=C(Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684560 | 58333 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 496 | 9 | 1 | 7 | 3.1 | O=C(Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 54580830 | 61984 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 8 | 1 | 5 | 4.5 | O=C(Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778939 | 61984 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 8 | 1 | 5 | 4.5 | O=C(Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2011.04.022 | ||
| 11677610 | 58344 | 11 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 492 | 10 | 1 | 7 | 3.9 | COc1cccc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684573 | 58344 | 11 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 492 | 10 | 1 | 7 | 3.9 | COc1cccc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| 11677610 | 58344 | 11 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 492 | 10 | 1 | 7 | 3.9 | COc1cccc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684573 | 58344 | 11 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 492 | 10 | 1 | 7 | 3.9 | COc1cccc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| 53322164 | 58316 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 510 | 10 | 1 | 7 | 3.3 | O=C(Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684409 | 58316 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 510 | 10 | 1 | 7 | 3.3 | O=C(Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 49866220 | 16091 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.0 | NCC(=O)NCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1224608 | 16091 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.0 | NCC(=O)NCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 | 10.1016/j.bmcl.2010.07.118 | ||
| 46934433 | 15864 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 474 | 10 | 1 | 6 | 3.8 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCCCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223699 | 15864 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 474 | 10 | 1 | 6 | 3.8 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCCCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| 53324871 | 58320 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 477 | 10 | 1 | 8 | 2.1 | O=C(Cn1c(-c2ccncc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684547 | 58320 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 477 | 10 | 1 | 8 | 2.1 | O=C(Cn1c(-c2ccncc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 54587738 | 61982 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 8 | 1 | 5 | 4.3 | CN(C)Cc1cccc(-c2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778937 | 61982 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 8 | 1 | 5 | 4.3 | CN(C)Cc1cccc(-c2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 54582806 | 61981 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 452 | 8 | 2 | 5 | 4.0 | CNCc1cccc(-c2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778936 | 61981 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 452 | 8 | 2 | 5 | 4.0 | CNCc1cccc(-c2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 9881053 | 119740 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 4.1 | CCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 | 10.1021/jm020954v | ||
| CHEMBL35226 | 119740 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 4.1 | CCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 | 10.1021/jm020954v | ||
| 53324872 | 58326 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 9 | 1 | 8 | 1.9 | CNC(=O)Cn1c(-c2cccc(OC)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684553 | 58326 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 9 | 1 | 8 | 1.9 | CNC(=O)Cn1c(-c2cccc(OC)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 53319602 | 58321 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 10 | 1 | 8 | 2.8 | O=C(Cn1c(-c2cccs2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684548 | 58321 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 10 | 1 | 8 | 2.8 | O=C(Cn1c(-c2cccs2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 53322990 | 58332 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 492 | 10 | 1 | 8 | 2.5 | COc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NC2CC2)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684559 | 58332 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 492 | 10 | 1 | 8 | 2.5 | COc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NC2CC2)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| 49865671 | 15881 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 488 | 10 | 1 | 6 | 4.2 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCCCCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223756 | 15881 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 488 | 10 | 1 | 6 | 4.2 | O=C(Cn1c(-c2ccccc2)nc2ccc(OCCCN3CCCCCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| 49866246 | 16103 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 406 | 9 | 2 | 6 | 2.3 | NCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1224664 | 16103 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 406 | 9 | 2 | 6 | 2.3 | NCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 | 10.1016/j.bmcl.2010.07.118 | ||
| 53316870 | 58313 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 490 | 10 | 1 | 7 | 3.0 | Cc1ccccc1-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684406 | 58313 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 490 | 10 | 1 | 7 | 3.0 | Cc1ccccc1-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 54581898 | 62002 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 8 | 1 | 7 | 3.7 | COc1cccc(-c2nc3ccc(-c4cccc(CN(C)C)n4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778957 | 62002 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 8 | 1 | 7 | 3.7 | COc1cccc(-c2nc3ccc(-c4cccc(CN(C)C)n4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 49865647 | 15863 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 462 | 12 | 1 | 6 | 3.7 | CCN(CC)CCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223698 | 15863 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 462 | 12 | 1 | 6 | 3.7 | CCN(CC)CCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 | 10.1016/j.bmcl.2010.07.118 | ||
| 136188833 | 58324 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 10 | 2 | 7 | 3.2 | O=C(Cn1c(-c2c[nH]c3ccccc23)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684551 | 58324 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 10 | 2 | 7 | 3.2 | O=C(Cn1c(-c2c[nH]c3ccccc23)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 54583807 | 61985 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 4.9 | O=C(Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCCC4)c3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778940 | 61985 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 4.9 | O=C(Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCCC4)c3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2011.04.022 | ||
| 54580831 | 61989 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 466 | 7 | 1 | 5 | 4.5 | CC(C)NC(=O)Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778944 | 61989 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 466 | 7 | 1 | 5 | 4.5 | CC(C)NC(=O)Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| 53316945 | 58334 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 10 | 1 | 8 | 2.7 | COc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684561 | 58334 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 10 | 1 | 8 | 2.7 | COc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2010.12.081 | ||
| 11854507 | 58345 | 2 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 496 | 9 | 1 | 6 | 4.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684574 | 58345 | 2 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 496 | 9 | 1 | 6 | 4.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 49866245 | 16102 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 392 | 8 | 2 | 6 | 1.9 | NCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1224663 | 16102 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 392 | 8 | 2 | 6 | 1.9 | NCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 | 10.1016/j.bmcl.2010.07.118 | ||
| 53325559 | 58330 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 11 | 1 | 8 | 2.7 | CCCNC(=O)Cn1c(-c2cccc(OC)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684557 | 58330 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 11 | 1 | 8 | 2.7 | CCCNC(=O)Cn1c(-c2cccc(OC)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 53317000 | 58343 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 494 | 9 | 1 | 6 | 4.3 | O=C(Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O)NC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684572 | 58343 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 494 | 9 | 1 | 6 | 4.3 | O=C(Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O)NC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 54582807 | 61994 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 8 | 1 | 6 | 4.5 | COc1cccc(-c2nc3ccc(-c4cccc(CN5CCC5)c4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778949 | 61994 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 8 | 1 | 6 | 4.5 | COc1cccc(-c2nc3ccc(-c4cccc(CN5CCC5)c4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 53322230 | 58322 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 482 | 10 | 1 | 8 | 2.8 | O=C(Cn1c(-c2ccsc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684549 | 58322 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 482 | 10 | 1 | 8 | 2.8 | O=C(Cn1c(-c2ccsc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 49865612 | 15849 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 503 | 11 | 1 | 7 | 3.0 | CN1CCN(CCCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223633 | 15849 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 503 | 11 | 1 | 7 | 3.0 | CN1CCN(CCCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| 53323617 | 58341 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 10 | 1 | 6 | 4.5 | CCCNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684570 | 58341 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 10 | 1 | 6 | 4.5 | CCCNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 53318916 | 58335 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 498 | 9 | 1 | 7 | 3.3 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684562 | 58335 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 498 | 9 | 1 | 7 | 3.3 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 54586715 | 62004 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 490 | 8 | 1 | 7 | 4.4 | COc1cccc(-c2nc3ccc(-c4ccc(CN(C)C)s4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778959 | 62004 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 490 | 8 | 1 | 7 | 4.4 | COc1cccc(-c2nc3ccc(-c4ccc(CN(C)C)s4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 49866181 | 16085 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 505 | 12 | 3 | 7 | 2.5 | CC(C)C[C@@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1)NC(=O)CN | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1224532 | 16085 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 505 | 12 | 3 | 7 | 2.5 | CC(C)C[C@@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1)NC(=O)CN | 10.1016/j.bmcl.2010.07.118 | ||
| 54586699 | 62000 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 8 | 1 | 7 | 3.7 | COc1cccc(-c2nc3ccc(-c4cc(CN(C)C)ccn4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778955 | 62000 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 8 | 1 | 7 | 3.7 | COc1cccc(-c2nc3ccc(-c4cc(CN(C)C)ccn4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 54587739 | 61983 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 494 | 10 | 1 | 5 | 5.1 | CCN(CC)Cc1cccc(-c2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778938 | 61983 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 494 | 10 | 1 | 5 | 5.1 | CCN(CC)Cc1cccc(-c2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 53320891 | 58331 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 498 | 10 | 1 | 7 | 3.3 | CCCNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684558 | 58331 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 498 | 10 | 1 | 7 | 3.3 | CCCNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 11854507 | 58345 | 2 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 496 | 9 | 1 | 6 | 4.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684574 | 58345 | 2 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 496 | 9 | 1 | 6 | 4.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 11854507 | 58345 | 2 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 496 | 9 | 1 | 6 | 4.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684574 | 58345 | 2 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 496 | 9 | 1 | 6 | 4.5 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 54586482 | 61811 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 506 | 8 | 1 | 5 | 5.2 | O=C(Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCCCC4)c3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1777825 | 61811 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 506 | 8 | 1 | 5 | 5.2 | O=C(Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCCCC4)c3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2011.04.022 | ||
| 54584784 | 61997 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 500 | 7 | 1 | 5 | 5.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778952 | 61997 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 500 | 7 | 1 | 5 | 5.1 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(-c3cccc(CN4CCC4)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| 53316944 | 58327 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 470 | 8 | 1 | 7 | 2.6 | CNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684554 | 58327 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 470 | 8 | 1 | 7 | 2.6 | CNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 54581880 | 61999 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 8 | 1 | 6 | 4.5 | COc1ccccc1-c1nc2ccc(-c3cccc(CN4CCC4)c3)cc2c(=O)n1CC(=O)NC(C)C | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778954 | 61999 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 8 | 1 | 6 | 4.5 | COc1ccccc1-c1nc2ccc(-c3cccc(CN4CCC4)c3)cc2c(=O)n1CC(=O)NC(C)C | 10.1016/j.bmcl.2011.04.022 | ||
| 54581877 | 61986 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 11 | 2 | 6 | 4.0 | COCCNCc1cccc(-c2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778941 | 61986 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 11 | 2 | 6 | 4.0 | COCCNCc1cccc(-c2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 53318240 | 58323 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 466 | 10 | 1 | 8 | 2.3 | O=C(Cn1c(-c2ccoc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684550 | 58323 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 466 | 10 | 1 | 8 | 2.3 | O=C(Cn1c(-c2ccoc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 11854509 | 62005 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 8 | 1 | 6 | 4.5 | COc1cccc(-c2nc3ccc(-c4cc(CN(C)C)ccc4F)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778960 | 62005 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 502 | 8 | 1 | 6 | 4.5 | COc1cccc(-c2nc3ccc(-c4cc(CN(C)C)ccc4F)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 54582817 | 62003 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 474 | 8 | 1 | 7 | 3.9 | COc1cccc(-c2nc3ccc(-c4ccc(CN(C)C)o4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778958 | 62003 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 474 | 8 | 1 | 7 | 3.9 | COc1cccc(-c2nc3ccc(-c4ccc(CN(C)C)o4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 49865672 | 15882 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 504 | 11 | 1 | 7 | 3.5 | COC1CCN(CCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223757 | 15882 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 504 | 11 | 1 | 7 | 3.5 | COC1CCN(CCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1 | 10.1016/j.bmcl.2010.07.118 | ||
| 53323616 | 58340 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 492 | 11 | 1 | 7 | 3.9 | CCCNC(=O)Cn1c(-c2cccc(OC)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684569 | 58340 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 492 | 11 | 1 | 7 | 3.9 | CCCNC(=O)Cn1c(-c2cccc(OC)c2)nc2ccc(OCCCN3CCCCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 49865646 | 15862 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 10 | 2 | 6 | 2.6 | CNCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 | 10.1016/j.bmcl.2010.07.118 | ||
| CHEMBL1223697 | 15862 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 10 | 2 | 6 | 2.6 | CNCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 | 10.1016/j.bmcl.2010.07.118 | ||
| 54582808 | 62001 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 485 | 8 | 1 | 7 | 3.7 | COc1cccc(-c2nc3ccc(-c4cncc(CN(C)C)c4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778956 | 62001 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 485 | 8 | 1 | 7 | 3.7 | COc1cccc(-c2nc3ccc(-c4cncc(CN(C)C)c4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 54582805 | 61979 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 8 | 1 | 6 | 4.1 | O=C(Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCOCC4)c3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778932 | 61979 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 8 | 1 | 6 | 4.1 | O=C(Cn1c(-c2ccccc2)nc2ccc(-c3cccc(CN4CCOCC4)c3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2011.04.022 | ||
| 53322163 | 58311 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 510 | 10 | 1 | 7 | 3.3 | O=C(Cn1c(-c2ccc(Cl)cc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684404 | 58311 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 510 | 10 | 1 | 7 | 3.3 | O=C(Cn1c(-c2ccc(Cl)cc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1 | 10.1016/j.bmcl.2010.12.081 | ||
| 53319603 | 58328 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 10 | 1 | 8 | 2.3 | CCNC(=O)Cn1c(-c2cccc(OC)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL1684555 | 58328 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 10 | 1 | 8 | 2.3 | CCNC(=O)Cn1c(-c2cccc(OC)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O | 10.1016/j.bmcl.2010.12.081 | ||
| 11854759 | 61993 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 484 | 8 | 1 | 6 | 4.3 | COc1cccc(-c2nc3ccc(-c4cccc(CN(C)C)c4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778948 | 61993 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 484 | 8 | 1 | 6 | 4.3 | COc1cccc(-c2nc3ccc(-c4cccc(CN(C)C)c4)cc3c(=O)n2CC(=O)NC(C)C)c1 | 10.1016/j.bmcl.2011.04.022 | ||
| 54580832 | 61998 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 528 | 7 | 1 | 5 | 5.9 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(-c3cccc(CN4CCCCC4)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| CHEMBL1778953 | 61998 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 528 | 7 | 1 | 5 | 5.9 | CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(-c3cccc(CN4CCCCC4)c3)cc2c1=O | 10.1016/j.bmcl.2011.04.022 | ||
| 54581530 | 62052 | 0 | None | 331 | 3 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 666 | 9 | 0 | 8 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779409 | 62052 | 0 | None | 331 | 3 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 666 | 9 | 0 | 8 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 54580516 | 62053 | 0 | None | 426 | 3 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 695 | 9 | 0 | 9 | 3.6 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCN(C)CC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779410 | 62053 | 0 | None | 426 | 3 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 695 | 9 | 0 | 9 | 3.6 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCN(C)CC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 54586392 | 62050 | 0 | None | 177 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 695 | 9 | 0 | 9 | 3.6 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccc(CN4CCN(C)CC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779407 | 62050 | 0 | None | 177 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 695 | 9 | 0 | 9 | 3.6 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccc(CN4CCN(C)CC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 44419029 | 96462 | 0 | None | 77 | 4 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1053 | 18 | 13 | 14 | -2.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL265859 | 96462 | 0 | None | 77 | 4 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1053 | 18 | 13 | 14 | -2.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 54584478 | 62049 | 0 | None | 354 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 666 | 9 | 0 | 8 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccc(CN4CCCC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779406 | 62049 | 0 | None | 354 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 666 | 9 | 0 | 8 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccc(CN4CCCC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 44419039 | 136871 | 0 | None | 1 | 8 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1096 | 20 | 14 | 15 | -4.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| CHEMBL375324 | 136871 | 0 | None | 1 | 8 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1096 | 20 | 14 | 15 | -4.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| 44419030 | 161066 | 16 | None | 407 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1025 | 18 | 11 | 14 | -1.5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL412972 | 161066 | 16 | None | 407 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1025 | 18 | 11 | 14 | -1.5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 16109443 | 141187 | 0 | None | 9 | 4 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1040 | 18 | 14 | 15 | -4.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL385739 | 141187 | 0 | None | 9 | 4 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1040 | 18 | 14 | 15 | -4.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 16051933 | 137602 | 4 | None | 1 | 8 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL376685 | 137602 | 4 | None | 1 | 8 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 44316241 | 96741 | 0 | None | 190 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1053 | 18 | 12 | 14 | -2.6 | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL268306 | 96741 | 0 | None | 190 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1053 | 18 | 12 | 14 | -2.6 | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 44419025 | 83880 | 0 | None | 1 | 8 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL221436 | 83880 | 0 | None | 1 | 8 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 16109440 | 161068 | 0 | None | 162 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 997 | 16 | 11 | 14 | -2.3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL412973 | 161068 | 0 | None | 162 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 997 | 16 | 11 | 14 | -2.3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 54581529 | 62051 | 0 | None | 112 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 696 | 10 | 0 | 9 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779408 | 62051 | 0 | None | 112 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 696 | 10 | 0 | 9 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 16109445 | 136720 | 0 | None | 213 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1011 | 17 | 11 | 14 | -1.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL375188 | 136720 | 0 | None | 213 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1011 | 17 | 11 | 14 | -1.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 44419025 | 83880 | 0 | None | -1 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL221436 | 83880 | 0 | None | -1 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 2168 | 3913 | 35 | None | 4 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 2810 | 3913 | 35 | None | 4 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 644077 | 3913 | 35 | None | 4 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| CHEMBL373742 | 3913 | 35 | None | 4 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| DB00067 | 3913 | 35 | None | 4 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 44419039 | 136871 | 0 | None | -2 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1096 | 20 | 14 | 15 | -4.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| CHEMBL375324 | 136871 | 0 | None | -2 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1096 | 20 | 14 | 15 | -4.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| 16051933 | 137602 | 4 | None | -1 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm030611c | ||
| CHEMBL376685 | 137602 | 4 | None | -1 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm030611c | ||
| 16109446 | 136082 | 0 | None | 354 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 983 | 15 | 11 | 14 | -2.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL373968 | 136082 | 0 | None | 354 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 983 | 15 | 11 | 14 | -2.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 56682530 | 62880 | 0 | None | 23 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1053 | 18 | 12 | 14 | -2.6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL1790575 | 62880 | 0 | None | 23 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1053 | 18 | 12 | 14 | -2.6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL2369830 | 207952 | 0 | None | 66 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 11366713 | 136698 | 0 | None | 1 | 8 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1054 | 19 | 13 | 15 | -3.9 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL375096 | 136698 | 0 | None | 1 | 8 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1054 | 19 | 13 | 15 | -3.9 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 16109441 | 136870 | 0 | None | 48 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1026 | 19 | 12 | 15 | -2.8 | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL375323 | 136870 | 0 | None | 48 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1026 | 19 | 12 | 15 | -2.8 | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 11366713 | 136698 | 0 | None | -1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1054 | 19 | 13 | 15 | -3.9 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL375096 | 136698 | 0 | None | -1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1054 | 19 | 13 | 15 | -3.9 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| CHEMBL2369836 | 207956 | 0 | None | 91 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 54584265 | 60854 | 0 | None | 54 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1026 | 18 | 11 | 14 | -0.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765663 | 60854 | 0 | None | 54 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1026 | 18 | 11 | 14 | -0.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 2202 | 2720 | 23 | None | -3 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| 9895468 | 2720 | 23 | None | -3 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL582857 | 2720 | 23 | None | -3 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| DB12643 | 2720 | 23 | None | -3 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| 16109442 | 136872 | 0 | None | 6 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1068 | 20 | 14 | 15 | -3.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL375325 | 136872 | 0 | None | 6 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1068 | 20 | 14 | 15 | -3.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 16109448 | 141068 | 0 | None | 5 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1054 | 19 | 14 | 15 | -3.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL385068 | 141068 | 0 | None | 5 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1054 | 19 | 14 | 15 | -3.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 2202 | 2720 | 23 | None | -3 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| 9895468 | 2720 | 23 | None | -3 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL582857 | 2720 | 23 | None | -3 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| DB12643 | 2720 | 23 | None | -3 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| 54584267 | 60857 | 0 | None | 35 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1154 | 25 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765667 | 60857 | 0 | None | 35 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1154 | 25 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 54584266 | 60855 | 0 | None | 32 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1145 | 20 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccccc2N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765664 | 60855 | 0 | None | 32 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1145 | 20 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccccc2N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL2369845 | 207963 | 0 | None | 28 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 16109444 | 160902 | 0 | None | 537 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1037 | 16 | 11 | 14 | -1.3 | NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL412742 | 160902 | 0 | None | 537 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1037 | 16 | 11 | 14 | -1.3 | NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 54586391 | 62048 | 0 | None | 54 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 696 | 10 | 0 | 9 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccc(CN4CCCC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779405 | 62048 | 0 | None | 54 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 696 | 10 | 0 | 9 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccc(CN4CCCC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 87451777 | 166083 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 659 | 8 | 0 | 11 | 3.9 | CCOc1nc(Cl)ccc1C1(N2CCN(c3ccnc(C)c3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cn2)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4281098 | 166083 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 659 | 8 | 0 | 11 | 3.9 | CCOc1nc(Cl)ccc1C1(N2CCN(c3ccnc(C)c3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cn2)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 16109447 | 82938 | 0 | None | 40 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1012 | 18 | 12 | 15 | -3.2 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL219272 | 82938 | 0 | None | 40 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1012 | 18 | 12 | 15 | -3.2 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL2369831 | 207953 | 1 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 2202 | 2720 | 23 | None | 3 | 5 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| 9895468 | 2720 | 23 | None | 3 | 5 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL582857 | 2720 | 23 | None | 3 | 5 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| DB12643 | 2720 | 23 | None | 3 | 5 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| 2202 | 2720 | 23 | None | 3 | 5 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| 9895468 | 2720 | 23 | None | 3 | 5 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL582857 | 2720 | 23 | None | 3 | 5 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| DB12643 | 2720 | 23 | None | 3 | 5 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| 87451692 | 166075 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 645 | 8 | 0 | 11 | 3.6 | CCOc1nc(Cl)ccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cn2)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4280894 | 166075 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 645 | 8 | 0 | 11 | 3.6 | CCOc1nc(Cl)ccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cn2)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 44419028 | 96461 | 13 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| CHEMBL265858 | 96461 | 13 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| CHEMBL2369829 | 207951 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 54583310 | 62763 | 0 | None | 25 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1542 | 24 | 16 | 22 | 1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765665 | 62763 | 0 | None | 25 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1542 | 24 | 16 | 22 | 1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1789128 | 62763 | 0 | None | 25 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1542 | 24 | 16 | 22 | 1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 54585431 | 62058 | 0 | None | 141 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 662 | 9 | 0 | 9 | 5.8 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779417 | 62058 | 0 | None | 141 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 662 | 9 | 0 | 9 | 5.8 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 54581307 | 60856 | 0 | None | 9 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1097 | 21 | 12 | 15 | -1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765666 | 60856 | 0 | None | 9 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1097 | 21 | 12 | 15 | -1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 87451777 | 166083 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 659 | 8 | 0 | 11 | 3.9 | CCOc1nc(Cl)ccc1C1(N2CCN(c3ccnc(C)c3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cn2)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4281098 | 166083 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 659 | 8 | 0 | 11 | 3.9 | CCOc1nc(Cl)ccc1C1(N2CCN(c3ccnc(C)c3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cn2)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 54584476 | 62043 | 0 | None | 32 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 630 | 8 | 1 | 10 | 2.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779400 | 62043 | 0 | None | 32 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 630 | 8 | 1 | 10 | 2.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 54580518 | 62061 | 0 | None | 69 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 691 | 9 | 0 | 10 | 4.9 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCN(C)CC4)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779420 | 62061 | 0 | None | 69 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 691 | 9 | 0 | 10 | 4.9 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCN(C)CC4)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 44419028 | 96461 | 13 | None | -1 | 8 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| CHEMBL265858 | 96461 | 13 | None | -1 | 8 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| CHEMBL2369839 | 207959 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 54585227 | 60859 | 0 | None | 104 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1042 | 18 | 12 | 15 | -1.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765669 | 60859 | 0 | None | 104 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1042 | 18 | 12 | 15 | -1.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 2202 | 2720 | 23 | None | -3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2011.03.012 | ||
| 9895468 | 2720 | 23 | None | -3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL582857 | 2720 | 23 | None | -3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2011.03.012 | ||
| DB12643 | 2720 | 23 | None | -3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL2369837 | 207957 | 0 | None | 257 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 16109437 | 83888 | 0 | None | 173 | 5 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1065 | 18 | 11 | 14 | -0.6 | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL221485 | 83888 | 0 | None | 173 | 5 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1065 | 18 | 11 | 14 | -0.6 | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 68905198 | 166296 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 669 | 10 | 0 | 11 | 4.2 | CCOc1cc(OC)ccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4285472 | 166296 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 669 | 10 | 0 | 11 | 4.2 | CCOc1cc(OC)ccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 16109439 | 136718 | 0 | None | 47 | 5 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1023 | 15 | 11 | 14 | -1.7 | NC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL375187 | 136718 | 0 | None | 47 | 5 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1023 | 15 | 11 | 14 | -1.7 | NC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 44428107 | 10220 | 0 | None | -1122 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 2058 | 46 | 18 | 25 | 6.0 | CC1CC(C)(C)Nc2c1cc1c(c2S(=O)(=O)O)OC2C(=C1c1c(Cl)c(SCC(=O)NCCCCCC(=O)N(C(=O)[C@H]3CCN(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](Cc4ccc(O)cc4)N(C)C(=O)CCc4ccc(O)cc4)C3)[C@@H](CCCCN)C(N)=O)c(Cl)c(Cl)c1C(=O)O)CC1C(=NC(C)(C)CC1C)C2S(=O)(=O)O | 10.1021/jm061404q | ||
| 91935616 | 10220 | 0 | None | -1122 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 2058 | 46 | 18 | 25 | 6.0 | CC1CC(C)(C)Nc2c1cc1c(c2S(=O)(=O)O)OC2C(=C1c1c(Cl)c(SCC(=O)NCCCCCC(=O)N(C(=O)[C@H]3CCN(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](Cc4ccc(O)cc4)N(C)C(=O)CCc4ccc(O)cc4)C3)[C@@H](CCCCN)C(N)=O)c(Cl)c(Cl)c1C(=O)O)CC1C(=NC(C)(C)CC1C)C2S(=O)(=O)O | 10.1021/jm061404q | ||
| CHEMBL1161978 | 10220 | 0 | None | -1122 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 2058 | 46 | 18 | 25 | 6.0 | CC1CC(C)(C)Nc2c1cc1c(c2S(=O)(=O)O)OC2C(=C1c1c(Cl)c(SCC(=O)NCCCCCC(=O)N(C(=O)[C@H]3CCN(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](Cc4ccc(O)cc4)N(C)C(=O)CCc4ccc(O)cc4)C3)[C@@H](CCCCN)C(N)=O)c(Cl)c(Cl)c1C(=O)O)CC1C(=NC(C)(C)CC1C)C2S(=O)(=O)O | 10.1021/jm061404q | ||
| 54587779 | 62032 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 530 | 11 | 1 | 6 | 2.6 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCCN2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779228 | 62032 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 530 | 11 | 1 | 6 | 2.6 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCCN2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 54581930 | 62030 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 503 | 11 | 2 | 6 | 2.3 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779226 | 62030 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 503 | 11 | 2 | 6 | 2.3 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 54583496 | 62056 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 610 | 8 | 0 | 10 | 4.6 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCCC3c3ncco3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779415 | 62056 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 610 | 8 | 0 | 10 | 4.6 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCCC3c3ncco3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 45483183 | 196619 | 0 | None | 3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 607 | 10 | 1 | 6 | 5.3 | O=S(=O)(CCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575972 | 196619 | 0 | None | 3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 607 | 10 | 1 | 6 | 5.3 | O=S(=O)(CCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 145987757 | 166524 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 604 | 7 | 0 | 8 | 4.6 | COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CCN(c4cccnc4)CC3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4289593 | 166524 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 604 | 7 | 0 | 8 | 4.6 | COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CCN(c4cccnc4)CC3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2018.07.043 | ||
| 45483238 | 197086 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 613 | 11 | 1 | 7 | 4.2 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL583083 | 197086 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 613 | 11 | 1 | 7 | 4.2 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 44419027 | 161233 | 7 | None | -1 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1053 | 19 | 13 | 15 | -4.4 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2cccnc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL414074 | 161233 | 7 | None | -1 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1053 | 19 | 13 | 15 | -4.4 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2cccnc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 45483182 | 196590 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 571 | 9 | 1 | 5 | 5.9 | O=C(CCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575773 | 196590 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 571 | 9 | 1 | 5 | 5.9 | O=C(CCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483300 | 196833 | 0 | None | 38 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 559 | 7 | 1 | 6 | 5.3 | O=C(OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL577816 | 196833 | 0 | None | 38 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 559 | 7 | 1 | 6 | 5.3 | O=C(OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 57391220 | 69855 | 0 | None | -1862 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 721 | 11 | 1 | 6 | 5.7 | C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1cccc(F)c1)c1ccccc1 | 10.1016/j.bmc.2011.12.013 | ||
| CHEMBL1940587 | 69855 | 0 | None | -1862 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 721 | 11 | 1 | 6 | 5.7 | C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1cccc(F)c1)c1ccccc1 | 10.1016/j.bmc.2011.12.013 | ||
| 45483282 | 195357 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 543 | 9 | 1 | 5 | 5.9 | O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1CCCN1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL567176 | 195357 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 543 | 9 | 1 | 5 | 5.9 | O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1CCCN1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL2369834 | 207954 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | NCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 54583578 | 61813 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 500 | 8 | 1 | 6 | 2.4 | COc1ccc(S(=O)(=O)N2CC(C(=O)NCCCN3CCN(C)CC3)c3ccccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1777828 | 61813 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 500 | 8 | 1 | 6 | 2.4 | COc1ccc(S(=O)(=O)N2CC(C(=O)NCCCN3CCN(C)CC3)c3ccccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 118734423 | 118135 | 0 | None | -4 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 389 | 5 | 1 | 3 | 4.4 | CCOc1ccc2ccccc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1 | 10.1021/jm501745f | ||
| CHEMBL3416858 | 118135 | 0 | None | -4 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 389 | 5 | 1 | 3 | 4.4 | CCOc1ccc2ccccc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1 | 10.1021/jm501745f | ||
| 45483243 | 196240 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 627 | 12 | 1 | 7 | 4.2 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCc3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572984 | 196240 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 627 | 12 | 1 | 7 | 4.2 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCc3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 56664848 | 62890 | 0 | None | -426 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1322 | 19 | 14 | 20 | 0.5 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790718 | 62890 | 0 | None | -426 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1322 | 19 | 14 | 20 | 0.5 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| 54584201 | 61520 | 0 | None | -426 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 640 | 13 | 1 | 6 | 4.8 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| CHEMBL1773857 | 61520 | 0 | None | -426 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 640 | 13 | 1 | 6 | 4.8 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C | 10.1016/j.bmcl.2011.02.096 | ||
| 56671720 | 62893 | 0 | None | -691 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1324 | 18 | 15 | 21 | -0.9 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790720 | 62893 | 0 | None | -691 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1324 | 18 | 15 | 21 | -0.9 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| 68906357 | 166647 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 655 | 9 | 0 | 11 | 3.8 | COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(OC)ccc3OC)(N3CCN(c4ccncc4)CC3)c3cc(C#N)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4291536 | 166647 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 655 | 9 | 0 | 11 | 3.8 | COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(OC)ccc3OC)(N3CCN(c4ccncc4)CC3)c3cc(C#N)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| 10483105 | 90249 | 0 | None | -245 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| CHEMBL2391300 | 90249 | 0 | None | -245 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 57394727 | 69856 | 0 | None | -2041 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 717 | 11 | 1 | 6 | 5.9 | Cc1cccc(/C=C/[C@@H]2[C@H](N3C(=O)OC[C@@H]3c3ccccc3)C(=O)N2[C@H](CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)N[C@H](C)c2ccccc2)c1 | 10.1016/j.bmc.2011.12.013 | ||
| CHEMBL1940588 | 69856 | 0 | None | -2041 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 717 | 11 | 1 | 6 | 5.9 | Cc1cccc(/C=C/[C@@H]2[C@H](N3C(=O)OC[C@@H]3c3ccccc3)C(=O)N2[C@H](CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)N[C@H](C)c2ccccc2)c1 | 10.1016/j.bmc.2011.12.013 | ||
| 145993830 | 166789 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 572 | 7 | 1 | 9 | 2.2 | COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3CCNC(=O)C3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4294472 | 166789 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 572 | 7 | 1 | 9 | 2.2 | COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3CCNC(=O)C3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| 45483203 | 196214 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 621 | 11 | 1 | 8 | 3.4 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCOCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572754 | 196214 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 621 | 11 | 1 | 8 | 3.4 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCOCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL2369842 | 207962 | 0 | None | 2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 44275524 | 160746 | 0 | None | -831 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| 91931053 | 160746 | 0 | None | -831 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL412210 | 160746 | 0 | None | -831 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| 45483237 | 197085 | 0 | None | -4 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 619 | 11 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccsc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL583082 | 197085 | 0 | None | -4 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 619 | 11 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccsc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 54580303 | 62765 | 0 | None | 6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1558 | 24 | 17 | 23 | 0.3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765670 | 62765 | 0 | None | 6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1558 | 24 | 17 | 23 | 0.3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1789152 | 62765 | 0 | None | 6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1558 | 24 | 17 | 23 | 0.3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 145981524 | 166106 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 626 | 6 | 0 | 9 | 4.5 | COc1ncccc1C1(N2CCN(c3cccnc3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4281615 | 166106 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 626 | 6 | 0 | 9 | 4.5 | COc1ncccc1C1(N2CCN(c3cccnc3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 56675151 | 62897 | 0 | None | -83 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1295 | 17 | 14 | 20 | 0.7 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790728 | 62897 | 0 | None | -83 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1295 | 17 | 14 | 20 | 0.7 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| 45483256 | 196621 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 11 | 1 | 7 | 3.4 | CCCNC1CCN(S(=O)(=O)CCC2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575987 | 196621 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 11 | 1 | 7 | 3.4 | CCCNC1CCN(S(=O)(=O)CCC2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483320 | 196544 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 543 | 7 | 1 | 5 | 5.1 | O=C(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575359 | 196544 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 543 | 7 | 1 | 5 | 5.1 | O=C(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL2369835 | 207955 | 0 | None | 2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 45483239 | 196215 | 0 | None | 1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 631 | 11 | 1 | 7 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccc(F)cc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572760 | 196215 | 0 | None | 1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 631 | 11 | 1 | 7 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccc(F)cc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483204 | 196210 | 0 | None | 1 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204126 | 196210 | 0 | None | 1 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204403 | 196210 | 0 | None | 1 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572709 | 196210 | 0 | None | 1 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 2042 | 2935 | 52 | None | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2174 | 2935 | 52 | None | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2176 | 2935 | 52 | None | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 439302 | 2935 | 52 | None | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| CHEMBL395429 | 2935 | 52 | None | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| DB00107 | 2935 | 52 | None | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 68905061 | 166590 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 634 | 8 | 0 | 9 | 4.6 | COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CCN(c4cccnc4)CC3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4290663 | 166590 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 634 | 8 | 0 | 9 | 4.6 | COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CCN(c4cccnc4)CC3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| 53358903 | 62039 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 3.2 | COc1ccc2c(c1)c(CC(=O)N1CCCNCC1)c(C)n2S(=O)(=O)c1ccc(OC)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779235 | 62039 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 3.2 | COc1ccc2c(c1)c(CC(=O)N1CCCNCC1)c(C)n2S(=O)(=O)c1ccc(OC)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 53358902 | 62038 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 485 | 5 | 1 | 7 | 3.3 | COc1ccc2c(c1)c(C(=O)N1CCCNCC1)c(C)n2S(=O)(=O)c1ccc(OC)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779234 | 62038 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 485 | 5 | 1 | 7 | 3.3 | COc1ccc2c(c1)c(C(=O)N1CCCNCC1)c(C)n2S(=O)(=O)c1ccc(OC)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 145993226 | 166221 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 586 | 7 | 0 | 9 | 2.5 | COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3CCN(C)C(=O)C3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4283895 | 166221 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 586 | 7 | 0 | 9 | 2.5 | COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3CCN(C)C(=O)C3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL2369838 | 207958 | 0 | None | 6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 68430310 | 166506 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 640 | 9 | 0 | 11 | 3.6 | CCOc1ccc(OC)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cn2)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4289186 | 166506 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 640 | 9 | 0 | 11 | 3.6 | CCOc1ccc(OC)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cn2)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 68430068 | 166694 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 690 | 9 | 0 | 11 | 4.7 | CCOc1ccc(OC)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)c3cccnc23)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4292610 | 166694 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 690 | 9 | 0 | 11 | 4.7 | CCOc1ccc(OC)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)c3cccnc23)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 54581533 | 62059 | 0 | None | 57 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 636 | 9 | 0 | 9 | 5.2 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN(C)C)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779418 | 62059 | 0 | None | 57 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 636 | 9 | 0 | 9 | 5.2 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN(C)C)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 54586390 | 62045 | 0 | None | 23 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 630 | 8 | 1 | 10 | 2.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cnccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779402 | 62045 | 0 | None | 23 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 630 | 8 | 1 | 10 | 2.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cnccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 54585430 | 62057 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 580 | 7 | 0 | 9 | 4.6 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779416 | 62057 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 580 | 7 | 0 | 9 | 4.6 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| 54586756 | 62031 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 11 | 2 | 5 | 2.6 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN(C)C)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779227 | 62031 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 11 | 2 | 5 | 2.6 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN(C)C)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 45483204 | 196210 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204126 | 196210 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204403 | 196210 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572709 | 196210 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 68903270 | 166104 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 669 | 10 | 0 | 11 | 4.2 | CCOc1ccc(OC)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4281537 | 166104 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 669 | 10 | 0 | 11 | 4.2 | CCOc1ccc(OC)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 45483204 | 196210 | 0 | None | 1 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204126 | 196210 | 0 | None | 1 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204403 | 196210 | 0 | None | 1 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572709 | 196210 | 0 | None | 1 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483239 | 196215 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 631 | 11 | 1 | 7 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccc(F)cc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572760 | 196215 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 631 | 11 | 1 | 7 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccc(F)cc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 44316236 | 203814 | 0 | None | 12 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 997 | 16 | 12 | 14 | -4.0 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| CHEMBL80877 | 203814 | 0 | None | 12 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 997 | 16 | 12 | 14 | -4.0 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| 45483256 | 196621 | 0 | None | -1 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 565 | 11 | 1 | 7 | 3.4 | CCCNC1CCN(S(=O)(=O)CCC2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575987 | 196621 | 0 | None | -1 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 565 | 11 | 1 | 7 | 3.4 | CCCNC1CCN(S(=O)(=O)CCC2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483236 | 197084 | 0 | None | 2 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 619 | 11 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3cccs3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL583081 | 197084 | 0 | None | 2 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 619 | 11 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3cccs3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 145984883 | 165884 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 574 | 6 | 0 | 7 | 4.5 | COc1ccccc1C1(N2CCN(c3cccnc3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4277432 | 165884 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 574 | 6 | 0 | 7 | 4.5 | COc1ccccc1C1(N2CCN(c3cccnc3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 54580874 | 62028 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 11 | 2 | 6 | 2.3 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779224 | 62028 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 11 | 2 | 6 | 2.3 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 54582853 | 62029 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 515 | 11 | 2 | 5 | 3.7 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCC(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779225 | 62029 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 515 | 11 | 2 | 5 | 3.7 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCC(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 2204 | 4054 | 3 | None | -83176 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 10.1021/acs.jmedchem.8b00697 | ||
| 9917025 | 4054 | 3 | None | -83176 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3307200 | 4054 | 3 | None | -83176 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 10.1021/acs.jmedchem.8b00697 | ||
| 54584477 | 62046 | 0 | None | 10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 631 | 8 | 1 | 11 | 1.7 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3nccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779403 | 62046 | 0 | None | 10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 631 | 8 | 1 | 11 | 1.7 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3nccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 54583861 | 62041 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 523 | 8 | 0 | 6 | 4.6 | COc1ccc(S(=O)(=O)n2c(C)c(CC(=O)N(C)CCc3ccccn3)c3cc(F)ccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779237 | 62041 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 523 | 8 | 0 | 6 | 4.6 | COc1ccc(S(=O)(=O)n2c(C)c(CC(=O)N(C)CCc3ccccn3)c3cc(F)ccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 45483323 | 196234 | 0 | None | -3 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 579 | 8 | 1 | 6 | 4.5 | O=S(=O)(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572921 | 196234 | 0 | None | -3 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 579 | 8 | 1 | 6 | 4.5 | O=S(=O)(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483324 | 196593 | 0 | None | 1 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 593 | 12 | 1 | 7 | 4.0 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCC(C)C)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575796 | 196593 | 0 | None | 1 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 593 | 12 | 1 | 7 | 4.0 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCC(C)C)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 44275525 | 193197 | 0 | None | -380 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21 | 10.1021/jm9804782 | ||
| 91931055 | 193197 | 0 | None | -380 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21 | 10.1021/jm9804782 | ||
| CHEMBL540192 | 193197 | 0 | None | -380 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21 | 10.1021/jm9804782 | ||
| 45483241 | 196239 | 0 | None | 1 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 643 | 12 | 1 | 8 | 4.2 | COc1cccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572983 | 196239 | 0 | None | 1 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 643 | 12 | 1 | 8 | 4.2 | COc1cccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 54581532 | 62055 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 626 | 8 | 0 | 10 | 5.0 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCCC3c3nccs3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779414 | 62055 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 626 | 8 | 0 | 10 | 5.0 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCCC3c3nccs3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 45483282 | 195357 | 0 | None | -2 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 543 | 9 | 1 | 5 | 5.9 | O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1CCCN1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL567176 | 195357 | 0 | None | -2 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 543 | 9 | 1 | 5 | 5.9 | O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1CCCN1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483241 | 196239 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 643 | 12 | 1 | 8 | 4.2 | COc1cccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572983 | 196239 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 643 | 12 | 1 | 8 | 4.2 | COc1cccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 56657866 | 62883 | 0 | None | -707 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1281 | 16 | 14 | 20 | 0.3 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790711 | 62883 | 0 | None | -707 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1281 | 16 | 14 | 20 | 0.3 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| 45483235 | 196422 | 0 | None | 30 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 572 | 7 | 1 | 5 | 5.2 | CN(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL574450 | 196422 | 0 | None | 30 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 572 | 7 | 1 | 5 | 5.2 | CN(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 16109438 | 96129 | 0 | None | 93 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1051 | 17 | 11 | 14 | -1.0 | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL263090 | 96129 | 0 | None | 93 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1051 | 17 | 11 | 14 | -1.0 | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL2369841 | 207961 | 0 | None | 5 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | NC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 54582318 | 60858 | 0 | None | 56 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1210 | 29 | 12 | 15 | 1.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765668 | 60858 | 0 | None | 56 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1210 | 29 | 12 | 15 | 1.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 54581528 | 62044 | 0 | None | 16 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 614 | 8 | 0 | 9 | 3.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779401 | 62044 | 0 | None | 16 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 614 | 8 | 0 | 9 | 3.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 54582526 | 62060 | 0 | None | 34 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 622 | 9 | 1 | 9 | 4.9 | CNCc1ccc(OC)c([C@@]2(N3CCC[C@H]3c3ncco3)C(=O)N(S(=O)(=O)c3ccc(OC)cc3)c3ccc(Cl)cc32)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779419 | 62060 | 0 | None | 34 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 622 | 9 | 1 | 9 | 4.9 | CNCc1ccc(OC)c([C@@]2(N3CCC[C@H]3c3ncco3)C(=O)N(S(=O)(=O)c3ccc(OC)cc3)c3ccc(Cl)cc32)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 145988954 | 166673 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 617 | 6 | 0 | 10 | 3.7 | COc1ncccc1C1(N2CCN(c3cccnc3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4292247 | 166673 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 617 | 6 | 0 | 10 | 3.7 | COc1ncccc1C1(N2CCN(c3cccnc3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 25212177 | 174257 | 9 | None | -7 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL456263 | 174257 | 9 | None | -7 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| 54583860 | 62037 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 473 | 4 | 1 | 6 | 3.4 | COc1ccc(S(=O)(=O)n2c(C)c(C(=O)N3CCCNCC3)c3cc(F)ccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779233 | 62037 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 473 | 4 | 1 | 6 | 3.4 | COc1ccc(S(=O)(=O)n2c(C)c(C(=O)N3CCCNCC3)c3cc(F)ccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 68907119 | 166092 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 639 | 9 | 0 | 10 | 4.2 | CCOc1ccc(OC)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4281320 | 166092 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 639 | 9 | 0 | 10 | 4.2 | CCOc1ccc(OC)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 54587780 | 62033 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 473 | 7 | 1 | 5 | 2.7 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779229 | 62033 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 473 | 7 | 1 | 5 | 2.7 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 45483182 | 196590 | 0 | None | -2 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 571 | 9 | 1 | 5 | 5.9 | O=C(CCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575773 | 196590 | 0 | None | -2 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 571 | 9 | 1 | 5 | 5.9 | O=C(CCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483324 | 196593 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 593 | 12 | 1 | 7 | 4.0 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCC(C)C)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575796 | 196593 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 593 | 12 | 1 | 7 | 4.0 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCC(C)C)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 135413562 | 2175 | 12 | None | -5623 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| 2194 | 2175 | 12 | None | -5623 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| CHEMBL445816 | 2175 | 12 | None | -5623 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| 68905047 | 166485 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 639 | 9 | 0 | 10 | 4.2 | CCOc1ccccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4288837 | 166485 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 639 | 9 | 0 | 10 | 4.2 | CCOc1ccccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 56664849 | 62894 | 0 | None | -1548 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1308 | 18 | 14 | 20 | 0.2 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790721 | 62894 | 0 | None | -1548 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1308 | 18 | 14 | 20 | 0.2 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| 45483183 | 196619 | 0 | None | -3 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 607 | 10 | 1 | 6 | 5.3 | O=S(=O)(CCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575972 | 196619 | 0 | None | -3 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 607 | 10 | 1 | 6 | 5.3 | O=S(=O)(CCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL2369848 | 207965 | 0 | None | 13 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 145991140 | 166405 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 600 | 7 | 0 | 9 | 2.9 | COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3CCN(C)C(=O)[C@H]3C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4287250 | 166405 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 600 | 7 | 0 | 9 | 2.9 | COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3CCN(C)C(=O)[C@H]3C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| 45483202 | 196664 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 577 | 10 | 1 | 7 | 3.5 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC3CCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL576341 | 196664 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 577 | 10 | 1 | 7 | 3.5 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC3CCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483194 | 196645 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 558 | 7 | 2 | 5 | 4.9 | O=C(NCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL576147 | 196645 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 558 | 7 | 2 | 5 | 4.9 | O=C(NCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 54585766 | 62040 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 544 | 9 | 1 | 7 | 3.2 | COc1ccc(S(=O)(=O)n2c(C)c(CC(=O)NCCCN3CCN(C)CC3)c3cc(F)ccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779236 | 62040 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 544 | 9 | 1 | 7 | 3.2 | COc1ccc(S(=O)(=O)n2c(C)c(CC(=O)NCCCN3CCN(C)CC3)c3cc(F)ccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 2213 | 515 | 43 | None | -114 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 3008 | 515 | 43 | None | -114 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 5311010 | 515 | 43 | None | -114 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| CHEMBL382301 | 515 | 43 | None | -114 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| DB09059 | 515 | 43 | None | -114 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 45483204 | 196210 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204126 | 196210 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204403 | 196210 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572709 | 196210 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483300 | 196833 | 0 | None | -38 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 559 | 7 | 1 | 6 | 5.3 | O=C(OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL577816 | 196833 | 0 | None | -38 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 559 | 7 | 1 | 6 | 5.3 | O=C(OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 87452314 | 166033 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 674 | 9 | 0 | 11 | 4.2 | CCOc1nc(Cl)ccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4280105 | 166033 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 674 | 9 | 0 | 11 | 4.2 | CCOc1nc(Cl)ccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 145980454 | 166158 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 635 | 8 | 0 | 10 | 4.0 | COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3CCN(c4cccnc4)CC3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4282776 | 166158 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 635 | 8 | 0 | 10 | 4.0 | COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3CCN(c4cccnc4)CC3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| 10461270 | 3622 | 3 | None | -60 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 10.1021/jm901812z | ||
| 2201 | 3622 | 3 | None | -60 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 10.1021/jm901812z | ||
| CHEMBL1615640 | 3622 | 3 | None | -60 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 10.1021/jm901812z | ||
| 145991740 | 166294 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 604 | 7 | 0 | 8 | 4.6 | COc1ccccc1C1(N2CCN(c3cccnc3)CC2)C(=O)N(S(=O)(=O)c2ccccc2OC)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4285386 | 166294 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 604 | 7 | 0 | 8 | 4.6 | COc1ccccc1C1(N2CCN(c3cccnc3)CC2)C(=O)N(S(=O)(=O)c2ccccc2OC)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 25059334 | 166533 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 660 | 8 | 0 | 10 | 4.7 | CCOc1ccc(OC)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4289740 | 166533 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 660 | 8 | 0 | 10 | 4.7 | CCOc1ccc(OC)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 54585429 | 62047 | 0 | None | 7 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 661 | 9 | 1 | 12 | 1.7 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cnc(OC)nc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779404 | 62047 | 0 | None | 7 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 661 | 9 | 1 | 12 | 1.7 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cnc(OC)nc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 2181 | 1304 | 35 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 2182 | 1304 | 35 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 27991 | 1304 | 35 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| CHEMBL1429 | 1304 | 35 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| CHEMBL264448 | 1304 | 35 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| DB00035 | 1304 | 35 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 44275104 | 96838 | 0 | None | -74 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1127 | 32 | 14 | 14 | -3.9 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL269012 | 96838 | 0 | None | -74 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1127 | 32 | 14 | 14 | -3.9 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| 54580863 | 62027 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 10 | 2 | 6 | 1.9 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779127 | 62027 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 10 | 2 | 6 | 1.9 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN2CCN(C)CC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 54583859 | 62035 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 469 | 4 | 0 | 6 | 3.6 | COc1ccc(S(=O)(=O)n2c(C)c(C(=O)N3CCCN(C)CC3)c3ccccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779231 | 62035 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 469 | 4 | 0 | 6 | 3.6 | COc1ccc(S(=O)(=O)n2c(C)c(C(=O)N3CCCN(C)CC3)c3ccccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 56671723 | 62898 | 0 | None | -162 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1311 | 17 | 15 | 21 | -0.4 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790729 | 62898 | 0 | None | -162 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1311 | 17 | 15 | 21 | -0.4 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| 45483202 | 196664 | 0 | None | -1 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 577 | 10 | 1 | 7 | 3.5 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC3CCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL576341 | 196664 | 0 | None | -1 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 577 | 10 | 1 | 7 | 3.5 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC3CCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483203 | 196214 | 0 | None | 2 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 621 | 11 | 1 | 8 | 3.4 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCOCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572754 | 196214 | 0 | None | 2 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 621 | 11 | 1 | 8 | 3.4 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCOCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 54585764 | 62034 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 512 | 8 | 1 | 7 | 3.2 | COc1ccc(S(=O)(=O)n2c(C)c(C(=O)NCCCN3CCN(C)CC3)c3ccccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779230 | 62034 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 512 | 8 | 1 | 7 | 3.2 | COc1ccc(S(=O)(=O)n2c(C)c(C(=O)NCCCN3CCN(C)CC3)c3ccccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 68907121 | 165917 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 625 | 8 | 0 | 10 | 3.8 | COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CCN(c4ccncc4)CC3)c3cc(C#N)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4278153 | 165917 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 625 | 8 | 0 | 10 | 3.8 | COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CCN(c4ccncc4)CC3)c3cc(C#N)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| 44316235 | 159881 | 0 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1011 | 16 | 12 | 14 | -3.6 | C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL411148 | 159881 | 0 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1011 | 16 | 12 | 14 | -3.6 | C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 45483255 | 196620 | 0 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 593 | 9 | 1 | 6 | 4.9 | O=S(=O)(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575986 | 196620 | 0 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 593 | 9 | 1 | 6 | 4.9 | O=S(=O)(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483325 | 196594 | 0 | None | 1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 577 | 11 | 1 | 7 | 3.4 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575797 | 196594 | 0 | None | 1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 577 | 11 | 1 | 7 | 3.4 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 53358904 | 62042 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 657 | 11 | 3 | 7 | 4.4 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(Cc2ccc3c(N)nccc3c2)C(=O)N2CCCCC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779238 | 62042 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 657 | 11 | 3 | 7 | 4.4 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(Cc2ccc3c(N)nccc3c2)C(=O)N2CCCCC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 54582843 | 62026 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 591 | 11 | 2 | 5 | 4.3 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779124 | 62026 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 591 | 11 | 2 | 5 | 4.3 | COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 45483240 | 197087 | 0 | None | 1 | 3 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 643 | 12 | 1 | 8 | 4.2 | COc1ccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)cc1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL583084 | 197087 | 0 | None | 1 | 3 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 643 | 12 | 1 | 8 | 4.2 | COc1ccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)cc1 | 10.1016/j.bmcl.2009.09.050 | ||
| 56657867 | 62889 | 0 | None | -194 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1338 | 19 | 15 | 21 | -0.5 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790717 | 62889 | 0 | None | -194 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1338 | 19 | 15 | 21 | -0.5 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| 45483236 | 197084 | 0 | None | -2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 619 | 11 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3cccs3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL583081 | 197084 | 0 | None | -2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 619 | 11 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3cccs3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL2369840 | 207960 | 0 | None | 9 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 45483204 | 196210 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204126 | 196210 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204403 | 196210 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572709 | 196210 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483321 | 196569 | 0 | None | 9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 557 | 8 | 1 | 5 | 5.5 | O=C(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575574 | 196569 | 0 | None | 9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 557 | 8 | 1 | 5 | 5.5 | O=C(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483242 | 196222 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 627 | 11 | 1 | 7 | 4.7 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC(C)c3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572835 | 196222 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 627 | 11 | 1 | 7 | 4.7 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC(C)c3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483247 | 196804 | 0 | None | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 529 | 8 | 1 | 5 | 5.6 | O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1CCN1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL577599 | 196804 | 0 | None | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 529 | 8 | 1 | 5 | 5.6 | O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1CCN1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483323 | 196234 | 0 | None | 3 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 579 | 8 | 1 | 6 | 4.5 | O=S(=O)(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572921 | 196234 | 0 | None | 3 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 579 | 8 | 1 | 6 | 4.5 | O=S(=O)(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483325 | 196594 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 577 | 11 | 1 | 7 | 3.4 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575797 | 196594 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 577 | 11 | 1 | 7 | 3.4 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 54581531 | 62054 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 620 | 8 | 0 | 9 | 5.0 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCCC3c3ccccn3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779412 | 62054 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 620 | 8 | 0 | 9 | 5.0 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCCC3c3ccccn3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 54585765 | 62036 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 3.6 | COc1ccc(S(=O)(=O)n2c(C)c(C(=O)N3CCCNCC3)c3cc(C)ccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| CHEMBL1779232 | 62036 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 3.6 | COc1ccc(S(=O)(=O)n2c(C)c(C(=O)N3CCCNCC3)c3cc(C)ccc32)c(C)c1C | 10.1016/j.bmcl.2011.04.104 | ||
| 145983696 | 165858 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 625 | 6 | 0 | 8 | 5.1 | COc1ccccc1C1(N2CCN(c3cccnc3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4277096 | 165858 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 625 | 6 | 0 | 8 | 5.1 | COc1ccccc1C1(N2CCN(c3cccnc3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 54584268 | 60860 | 0 | None | 338 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1226 | 29 | 13 | 16 | 0.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765671 | 60860 | 0 | None | 338 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1226 | 29 | 13 | 16 | 0.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 45483255 | 196620 | 0 | None | -1 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 593 | 9 | 1 | 6 | 4.9 | O=S(=O)(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL575986 | 196620 | 0 | None | -1 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 593 | 9 | 1 | 6 | 4.9 | O=S(=O)(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 145980069 | 165981 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 649 | 8 | 0 | 10 | 3.5 | COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3CCN(c4cccnc4)C(=O)C3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4279321 | 165981 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 649 | 8 | 0 | 10 | 3.5 | COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3CCN(c4cccnc4)C(=O)C3)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2018.07.043 | ||
| 45483238 | 197086 | 0 | None | 1 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 613 | 11 | 1 | 7 | 4.2 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL583083 | 197086 | 0 | None | 1 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 613 | 11 | 1 | 7 | 4.2 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 68430815 | 166722 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 640 | 9 | 0 | 11 | 3.6 | CCOc1ncccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4293297 | 166722 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 640 | 9 | 0 | 11 | 3.6 | CCOc1ncccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 56657868 | 62891 | 0 | None | -512 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1297 | 16 | 15 | 21 | -0.8 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790719 | 62891 | 0 | None | -512 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1297 | 16 | 15 | 21 | -0.8 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| 45483204 | 196210 | 0 | None | 1 | 5 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204126 | 196210 | 0 | None | 1 | 5 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL1204403 | 196210 | 0 | None | 1 | 5 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572709 | 196210 | 0 | None | 1 | 5 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 4.6 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 68430080 | 166263 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 678 | 8 | 0 | 10 | 4.8 | CCOc1ccc(OC)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(F)c3cccnc23)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| CHEMBL4284730 | 166263 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 678 | 8 | 0 | 10 | 4.8 | CCOc1ccc(OC)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(F)c3cccnc23)c2ccc(C#N)cc21 | 10.1016/j.bmcl.2018.07.043 | ||
| 44275447 | 95976 | 0 | None | -11 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1111 | 32 | 13 | 13 | -3.6 | CN(C(=O)Cc1ccccc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL262035 | 95976 | 0 | None | -11 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1111 | 32 | 13 | 13 | -3.6 | CN(C(=O)Cc1ccccc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL2369847 | 207964 | 0 | None | 8 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 45483243 | 196240 | 0 | None | 1 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 627 | 12 | 1 | 7 | 4.2 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCc3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572984 | 196240 | 0 | None | 1 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 627 | 12 | 1 | 7 | 4.2 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCc3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483240 | 197087 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 643 | 12 | 1 | 8 | 4.2 | COc1ccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)cc1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL583084 | 197087 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 643 | 12 | 1 | 8 | 4.2 | COc1ccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)cc1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483247 | 196804 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 529 | 8 | 1 | 5 | 5.6 | O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1CCN1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL577599 | 196804 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 529 | 8 | 1 | 5 | 5.6 | O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1CCN1CCC(NCc2cccs2)CC1 | 10.1016/j.bmcl.2009.09.050 | ||
| 45483237 | 197085 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 619 | 11 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccsc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL583082 | 197085 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 619 | 11 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccsc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 57519947 | 73303 | 0 | None | -1659 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C\I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017868 | 73303 | 0 | None | -1659 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C\I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 45483242 | 196222 | 0 | None | -1 | 3 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 627 | 11 | 1 | 7 | 4.7 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC(C)c3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL572835 | 196222 | 0 | None | -1 | 3 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 627 | 11 | 1 | 7 | 4.7 | COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC(C)c3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmcl.2009.09.050 | ||
| 2042 | 2935 | 52 | None | -645 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2174 | 2935 | 52 | None | -645 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2176 | 2935 | 52 | None | -645 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 439302 | 2935 | 52 | None | -645 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL395429 | 2935 | 52 | None | -645 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00107 | 2935 | 52 | None | -645 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 146681949 | 214306 | 0 | 3H-AVP | 1 | 9 | Rat | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 146681949 | 214306 | 0 | 3H-AVP | -1 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 151171 | 1141 | 43 | 3H-AVP | -11748 | 6 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 216322 | 1141 | 43 | 3H-AVP | -11748 | 6 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 2203 | 1141 | 43 | 3H-AVP | -11748 | 6 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 732 | 1141 | 43 | 3H-AVP | -11748 | 6 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| CHEMBL1755 | 1141 | 43 | 3H-AVP | -11748 | 6 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| DB00872 | 1141 | 43 | 3H-AVP | -11748 | 6 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 119369 | 2568 | 67 | 3H-AVP | -87 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 119369 | 2568 | 67 | 3H-AVP | -954 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2568 | 67 | 3H-AVP | -87 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2568 | 67 | 3H-AVP | -954 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2568 | 67 | 3H-AVP | -87 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2568 | 67 | 3H-AVP | -954 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2568 | 67 | 3H-AVP | -87 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2568 | 67 | 3H-AVP | -954 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 114904 | 2909 | 50 | 3H-AVP | -446 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| 2196 | 2909 | 50 | 3H-AVP | -446 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| CHEMBL296908 | 2909 | 50 | 3H-AVP | -446 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| 216237 | 3782 | 87 | 3H-AVP | -9120 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 2226 | 3782 | 87 | 3H-AVP | -9120 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 4110 | 3782 | 87 | 3H-AVP | -9120 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| CHEMBL344159 | 3782 | 87 | 3H-AVP | -9120 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 21830793 | 91403 | 5 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| CHEMBL2413154 | 91403 | 5 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| 4054 | 203790 | 64 | 3H-VASOPRESSIN | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL1699 | 203790 | 64 | 3H-VASOPRESSIN | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL807 | 203790 | 64 | 3H-VASOPRESSIN | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| None | 214217 | 0 | 3H-VASOPRESSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | ||
| 2042 | 2935 | 52 | 3H-AVP | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 2935 | 52 | 3H-AVP | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 2935 | 52 | 3H-AVP | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 2935 | 52 | 3H-AVP | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 2935 | 52 | 3H-AVP | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 2935 | 52 | 3H-AVP | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 46783812 | 214308 | 0 | 3H-AVP | -6 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 1182 | 19 | 14 | 16 | -6.7 | CC(=O)O.C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N.O.O.O | None | ||
| None | 214307 | 0 | 3H-AVP | -50 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 1151 | 20 | 12 | 15 | -2.3 | COC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5 | None | ||
| 2042 | 2935 | 52 | 3H-AVP | -20 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 2935 | 52 | 3H-AVP | -20 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 2935 | 52 | 3H-AVP | -20 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 2935 | 52 | 3H-AVP | -20 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 2935 | 52 | 3H-AVP | -20 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 2935 | 52 | 3H-AVP | -20 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 119369 | 2568 | 67 | None | -87 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2568 | 67 | None | -87 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2568 | 67 | None | -87 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2568 | 67 | None | -87 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 133612094 | 214744 | 0 | 3H-AVP | -11 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 993 | 18 | 11 | 15 | -3.0 | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O | None | ||
| 133612094 | 214744 | 0 | None | -11 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 993 | 18 | 11 | 15 | -3.0 | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O | None | ||
| 146681949 | 214306 | 0 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 122172899 | 215973 | 0 | None | -1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 1068 | 19 | 14 | 15 | -4.1 | NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O | None | ||
| 146681949 | 214306 | 0 | None | 1 | 9 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 122172899 | 215973 | 0 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 1068 | 19 | 14 | 15 | -4.1 | NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O | None | ||
| 2184 | 1463 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2184 | 1463 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 1649739 | ||||
| 2184 | 1463 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2169 | 463 | 0 | None | -25 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 68649 | 463 | 0 | None | -25 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2172 | 2359 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2959 | 2359 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 644076 | 2359 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL1200690 | 2359 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB14642 | 2359 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2202 | 2720 | 23 | None | -3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 11861823 | ||
| 2202 | 2720 | 23 | None | -3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 16158071 | ||
| 9895468 | 2720 | 23 | None | -3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 11861823 | ||
| 9895468 | 2720 | 23 | None | -3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 16158071 | ||
| CHEMBL582857 | 2720 | 23 | None | -3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 11861823 | ||
| CHEMBL582857 | 2720 | 23 | None | -3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 16158071 | ||
| DB12643 | 2720 | 23 | None | -3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 11861823 | ||
| DB12643 | 2720 | 23 | None | -3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 16158071 | ||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| 2168 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| 2810 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| 644077 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| CHEMBL373742 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| DB00067 | 3913 | 35 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2187 | 1314 | 0 | None | 89 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2187 | 1314 | 0 | None | 89 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2191 | 1417 | 0 | None | 398 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 158348 | 3431 | 15 | None | -100000 | 4 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 11429400 | ||
| 2199 | 3431 | 15 | None | -100000 | 4 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 11429400 | ||
| CHEMBL4283439 | 3431 | 15 | None | -100000 | 4 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 11429400 | ||
| DB14923 | 3431 | 15 | None | -100000 | 4 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 11429400 | ||
| 2222 | 1326 | 0 | None | -3981 | 3 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2204 | 4054 | 3 | None | -83176 | 4 | Human | 4.6 | pKi | None | 4.6 | Binding | Guide to Pharmacology | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 15661579 | ||
| 9917025 | 4054 | 3 | None | -83176 | 4 | Human | 4.6 | pKi | None | 4.6 | Binding | Guide to Pharmacology | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 15661579 | ||
| CHEMBL3307200 | 4054 | 3 | None | -83176 | 4 | Human | 4.6 | pKi | None | 4.6 | Binding | Guide to Pharmacology | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 15661579 | ||
| 119369 | 2568 | 67 | None | -87 | 8 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9322919 | ||
| 2197 | 2568 | 67 | None | -87 | 8 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9322919 | ||
| 4004 | 2568 | 67 | None | -87 | 8 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9322919 | ||
| CHEMBL420762 | 2568 | 67 | None | -87 | 8 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9322919 | ||
| 2205 | 4060 | 4 | None | -51286 | 5 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 11429400 | ||
| 9810140 | 4060 | 4 | None | -51286 | 5 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 11429400 | ||
| CHEMBL307483 | 4060 | 4 | None | -51286 | 5 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 11429400 | ||
| 2221 | 1328 | 0 | None | -39810 | 4 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2219 | 1327 | 0 | None | -6309 | 4 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | None | None | None | None | 11337500 | ||||
| 122322 | 1323 | 0 | None | -2511 | 3 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2217 | 1323 | 0 | None | -2511 | 3 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2209 | 3041 | 0 | None | -281 | 3 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2214 | 1318 | 0 | None | -19 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2215 | 1317 | 0 | None | -8 | 3 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2042 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2042 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2042 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2042 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2042 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2174 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2174 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2174 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2174 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2174 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2176 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2176 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2176 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2176 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2176 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 439302 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 439302 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 439302 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 439302 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 439302 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL395429 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| CHEMBL395429 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL395429 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL395429 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| CHEMBL395429 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| DB00107 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| DB00107 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00107 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00107 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| DB00107 | 2935 | 52 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2213 | 515 | 43 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2213 | 515 | 43 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 3008 | 515 | 43 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 3008 | 515 | 43 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 5311010 | 515 | 43 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 5311010 | 515 | 43 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| CHEMBL382301 | 515 | 43 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL382301 | 515 | 43 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| DB09059 | 515 | 43 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| DB09059 | 515 | 43 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 2212 | 3701 | 0 | None | -501 | 3 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2223 | 1325 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2223 | 1325 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2223 | 1325 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2223 | 1325 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 6917952 | 1325 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 6917952 | 1325 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 6917952 | 1325 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 6917952 | 1325 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2200 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11429400 | ||
| 2200 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 16158071 | ||
| 2200 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9322919 | ||
| 2200 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| 3482 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11429400 | ||
| 3482 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 16158071 | ||
| 3482 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9322919 | ||
| 3482 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| 60943 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11429400 | ||
| 60943 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 16158071 | ||
| 60943 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9322919 | ||
| 60943 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| CHEMBL419667 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11429400 | ||
| CHEMBL419667 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 16158071 | ||
| CHEMBL419667 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9322919 | ||
| CHEMBL419667 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| DB13929 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11429400 | ||
| DB13929 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 16158071 | ||
| DB13929 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9322919 | ||
| DB13929 | 3259 | 41 | None | -158 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| 2208 | 3040 | 0 | None | -31 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2211 | 3043 | 0 | None | -25 | 3 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2181 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2181 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2181 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2181 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2182 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2182 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2182 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2182 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 27991 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 27991 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 27991 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 27991 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL1429 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| CHEMBL1429 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL1429 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL1429 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL264448 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| CHEMBL264448 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL264448 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL264448 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00035 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| DB00035 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00035 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00035 | 1304 | 35 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2181 | 1304 | 35 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2182 | 1304 | 35 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 27991 | 1304 | 35 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL1429 | 1304 | 35 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL264448 | 1304 | 35 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00035 | 1304 | 35 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2210 | 3042 | 0 | None | -12 | 3 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 119517 | 1446 | 0 | None | -7 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2225 | 1446 | 0 | None | -7 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2183 | 1485 | 0 | None | -3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2183 | 1485 | 0 | None | -3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 6441676 | 1485 | 0 | None | -3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 6441676 | 1485 | 0 | None | -3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2188 | 1316 | 0 | None | 316 | 4 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2195 | 2867 | 0 | None | -3 | 3 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2181 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2181 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2181 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2182 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2182 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2182 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 27991 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 27991 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 27991 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL1429 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL1429 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL1429 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL264448 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL264448 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL264448 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| DB00035 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| DB00035 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00035 | 1304 | 35 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 171113 | 3907 | 0 | None | 3 | 3 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2180 | 3907 | 0 | None | 3 | 3 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL3274309 | 3907 | 0 | None | 3 | 3 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2186 | 1315 | 0 | None | 501 | 4 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2190 | 1415 | 0 | None | 79 | 4 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2185 | 1464 | 0 | None | 1 | 3 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2189 | 1416 | 0 | None | 316 | 4 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2168 | 3913 | 35 | None | 4 | 9 | Rat | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2810 | 3913 | 35 | None | 4 | 9 | Rat | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 644077 | 3913 | 35 | None | 4 | 9 | Rat | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL373742 | 3913 | 35 | None | 4 | 9 | Rat | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00067 | 3913 | 35 | None | 4 | 9 | Rat | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||