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 | 9757 | 58 | None | -9 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| 2174 | 9757 | 58 | None | -9 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| 2176 | 9757 | 58 | None | -9 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| 439302 | 9757 | 58 | None | -9 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| CHEMBL395429 | 9757 | 58 | None | -9 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| DB00107 | 9757 | 58 | None | -9 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.06.018 | ||||
| 54584265 | 67956 | 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 | 67956 | 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 | 215769 | 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 | 188203 | 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 | 188203 | 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 | 215785 | 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 | 215789 | 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 | 215785 | 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 | 215789 | 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 | 215773 | 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 | 215786 | 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 | 215773 | 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 | 215786 | 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 | 215787 | 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 | 215787 | 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 | 215790 | 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 | 215790 | 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 | 71576 | 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 | 71576 | 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 | 215794 | 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 | 215794 | 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 | 215793 | 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 | 71576 | 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 | 71576 | 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 | 215802 | 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 | 215802 | 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 | 215793 | 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 | 215791 | 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 | 215777 | 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 | 215791 | 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 | 215777 | 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 | 71401 | 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 | 71401 | 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 | 71401 | 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 | 71401 | 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 | 215807 | 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 | 215799 | 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 | 10748 | 38 | None | -69 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2810 | 10748 | 38 | None | -69 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 644077 | 10748 | 38 | None | -69 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL373742 | 10748 | 38 | None | -69 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| DB00067 | 10748 | 38 | None | -69 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 54584266 | 67957 | 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 | 67957 | 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 | 215807 | 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 | 71407 | 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 | 71407 | 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 | 215799 | 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 | 215764 | 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 | 215804 | 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 | 71407 | 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 | 71407 | 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 | 215764 | 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 | 215804 | 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 | 215779 | 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 | 168340 | 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 | 168340 | 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 | 215779 | 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 | 9757 | 58 | None | -9 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2174 | 9757 | 58 | None | -9 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2176 | 9757 | 58 | None | -9 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 439302 | 9757 | 58 | None | -9 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL395429 | 9757 | 58 | None | -9 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| DB00107 | 9757 | 58 | None | -9 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL1819542 | 215796 | 9 | 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 | 215796 | 9 | 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 | 71400 | 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 | 71400 | 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 | 215771 | 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 | 215806 | 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 | 215771 | 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 | 215806 | 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 | 71400 | 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 | 71400 | 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 | 215797 | 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 | 215797 | 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 | 215782 | 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 | 215782 | 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 | 71404 | 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 | 71404 | 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 | 7584 | 37 | None | -57 | 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 | 7584 | 37 | None | -57 | 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 | ||||
| 165708555 | 7584 | 37 | None | -57 | 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 | 7584 | 37 | None | -57 | 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 | 7584 | 37 | None | -57 | 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 | 7584 | 37 | None | -57 | 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 | 7584 | 37 | None | -57 | 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 | 71404 | 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 | 71404 | 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 | 71577 | 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 | 71577 | 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 | 71577 | 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 | 71577 | 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 | 215762 | 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 | 9757 | 58 | None | -9 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2174 | 9757 | 58 | None | -9 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2176 | 9757 | 58 | None | -9 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 439302 | 9757 | 58 | None | -9 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL395429 | 9757 | 58 | None | -9 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| DB00107 | 9757 | 58 | None | -9 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL1817692 | 215762 | 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 | 71397 | 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 | 71397 | 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 | 168356 | 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 | 168356 | 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 | 71397 | 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 | 71397 | 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 | 215774 | 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 | 215774 | 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 | 215768 | 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 | 215768 | 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 | 9757 | 58 | None | -9 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2174 | 9757 | 58 | None | -9 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2176 | 9757 | 58 | None | -9 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 439302 | 9757 | 58 | None | -9 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL395429 | 9757 | 58 | None | -9 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| DB00107 | 9757 | 58 | None | -9 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 11454 | 10350 | 11 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53330936 | 10350 | 11 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817709 | 10350 | 11 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB12495 | 10350 | 11 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 11454 | 10350 | 11 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53330936 | 10350 | 11 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817709 | 10350 | 11 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB12495 | 10350 | 11 | None | -616 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817764 | 215783 | 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 | 215783 | 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 | 215800 | 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 | 215780 | 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 | 215800 | 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 | 215770 | 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 | 215770 | 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 | 215780 | 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 | 215767 | 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 | 215767 | 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 | 71396 | 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 | 71396 | 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 | 215784 | 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 | 215784 | 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 | 9757 | 58 | None | -9 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2174 | 9757 | 58 | None | -9 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2176 | 9757 | 58 | None | -9 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 439302 | 9757 | 58 | None | -9 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL395429 | 9757 | 58 | None | -9 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| DB00107 | 9757 | 58 | None | -9 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 53362204 | 71396 | 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 | 71396 | 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 | 10748 | 38 | None | -69 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2810 | 10748 | 38 | None | -69 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 644077 | 10748 | 38 | None | -69 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL373742 | 10748 | 38 | None | -69 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB00067 | 10748 | 38 | None | -69 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2168 | 10748 | 38 | None | -69 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2810 | 10748 | 38 | None | -69 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 644077 | 10748 | 38 | None | -69 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL373742 | 10748 | 38 | None | -69 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB00067 | 10748 | 38 | None | -69 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53362369 | 71405 | 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 | 71405 | 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 | 71405 | 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 | 71405 | 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 | 215805 | 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 | 215801 | 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 | 215801 | 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 | 215765 | 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 | 215805 | 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 | 215765 | 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 | 215763 | 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 | 215778 | 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 | 215763 | 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 | 215778 | 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 | 215803 | 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 | 215803 | 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 | 215781 | 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 | 215781 | 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 | 215776 | 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 | 215776 | 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 | 71394 | 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 | 71394 | 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 | 71394 | 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 | 71394 | 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 | 71399 | 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 | 71399 | 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 | 215795 | 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 | 71399 | 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 | 71399 | 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 | 215795 | 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 | 215775 | 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 | 215775 | 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 | 71574 | 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 | 71574 | 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 | 71574 | 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 | 71574 | 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 | 69867 | 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 | 69867 | 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 | 69867 | 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 | 71402 | 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 | 71402 | 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 | 71398 | 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 | 71398 | 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 | 71402 | 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 | 71402 | 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 | 71398 | 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 | 71398 | 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 | 215809 | 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 | 215809 | 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 | 215772 | 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 | 215772 | 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 | 215792 | 23 | 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 | 215792 | 23 | 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 | 215808 | 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 | 71395 | 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 | 71395 | 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 | 71395 | 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 | 71395 | 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 | 215766 | 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 | 215766 | 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 | 215788 | 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 | 215788 | 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 | 215808 | 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 | 71406 | 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 | 71406 | 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 | 71406 | 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 | 71406 | 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 | 168260 | 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 | 168260 | 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 | 168143 | 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 | 168143 | 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 | 215761 | 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 | 215761 | 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 | 71575 | 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 | 71575 | 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 | 71575 | 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 | 71575 | 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 | 22499 | 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 | 22499 | 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 | 22697 | 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 | 22697 | 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 | 22747 | 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 | 22747 | 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 | 22485 | 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 | 22485 | 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 | 22361 | 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 | 22361 | 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 | 22727 | 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 | 22727 | 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 | 22601 | 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 | 22601 | 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 | 22528 | 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 | 22528 | 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 | 22530 | 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 | 22530 | 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 | 22573 | 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 | 22573 | 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 | 22587 | 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 | 22587 | 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 | 22698 | 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 | 22698 | 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 | 22749 | 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 | 22749 | 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 | 22763 | 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 | 22763 | 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 | 22483 | 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 | 22483 | 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 | 22512 | 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 | 22512 | 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 | 22513 | 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 | 22513 | 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 | 22599 | 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 | 22599 | 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 | 22777 | 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 | 22777 | 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 | 180609 | 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 | 180609 | 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 | 22546 | 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 | 22546 | 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 | 178307 | 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 | 178307 | 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 | 22729 | 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 | 22729 | 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 | 22760 | 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 | 22760 | 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 | 22359 | 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 | 22359 | 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 | 69141 | 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 | 69141 | 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 | 182897 | 14 | 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 | 182897 | 14 | 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 | 22484 | 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 | 22484 | 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 | 22762 | 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 | 22762 | 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 | 22575 | 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 | 22575 | 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 | 182163 | 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 | 182163 | 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 | 22527 | 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 | 22527 | 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 | 22576 | 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 | 22576 | 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 | 22746 | 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 | 22746 | 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 | 22761 | 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 | 22761 | 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 | 22585 | 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 | 22585 | 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 | 22545 | 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 | 22545 | 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 | 22574 | 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 | 22574 | 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 | 22586 | 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 | 22586 | 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 | 182617 | 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 | 182617 | 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 | 181683 | 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 | 181683 | 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 | 22500 | 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 | 22500 | 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 | 22501 | 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 | 22501 | 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 | 22584 | 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 | 22584 | 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 | 22502 | 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 | 22502 | 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 | 22514 | 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 | 22514 | 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 | 22515 | 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 | 22515 | 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 | 22547 | 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 | 22547 | 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 | 22778 | 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 | 22778 | 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 | 22779 | 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 | 22779 | 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 | 22531 | 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 | 22531 | 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 | 22600 | 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 | 22600 | 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 | 22728 | 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 | 22728 | 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 | 22748 | 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 | 22748 | 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 | 22726 | 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 | 22726 | 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 | 22780 | 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 | 22780 | 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 | 63541 | 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 | 63541 | 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 | 63542 | 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 | 63542 | 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 | 63543 | 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 | 63543 | 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 | 63550 | 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 | 63550 | 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 | 63558 | 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 | 63558 | 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 | 63569 | 4 | 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 | 63569 | 4 | 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 | 187338 | 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 | 187338 | 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 | 63554 | 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 | 63554 | 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 | 63560 | 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 | 63560 | 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 | 63561 | 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 | 63561 | 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 | 63562 | 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 | 63562 | 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 | 63570 | 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 | 63570 | 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 | 63539 | 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 | 63539 | 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 | 63551 | 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 | 63551 | 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 | 63563 | 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 | 63563 | 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 | 63540 | 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 | 63540 | 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 | 63567 | 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 | 63567 | 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 | 63546 | 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 | 63546 | 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 | 63544 | 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 | 63544 | 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 | 63553 | 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 | 63553 | 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 | 63557 | 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 | 63557 | 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 | 63347 | 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 | 63347 | 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 | 63545 | 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 | 63545 | 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 | 63552 | 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 | 63552 | 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 | 63564 | 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 | 63564 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 63547 | 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 | 63547 | 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 | 63559 | 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 | 63559 | 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 | 9537 | 33 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.11.061 | ||
| 9895468 | 9537 | 33 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.11.061 | ||
| CHEMBL582857 | 9537 | 33 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.11.061 | ||
| DB12643 | 9537 | 33 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.11.061 | ||
| 53316697 | 63548 | 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 | 63548 | 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 | 63565 | 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 | 63565 | 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 | 63568 | 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 | 63568 | 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 | 63549 | 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 | 63549 | 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 | 63556 | 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 | 63556 | 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 | 39761 | 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 | 39761 | 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 | 59528 | 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 | 59528 | 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 | 61278 | 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 | 61278 | 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 | 34710 | 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 | 34710 | 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 | 47711 | 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 | 47711 | 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 | 9757 | 58 | None | -9 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 2174 | 9757 | 58 | None | -9 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 2176 | 9757 | 58 | None | -9 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 439302 | 9757 | 58 | None | -9 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| CHEMBL395429 | 9757 | 58 | None | -9 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| DB00107 | 9757 | 58 | None | -9 | 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 | 67957 | 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 | 67957 | 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 | 122628 | 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 | 122628 | 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 | 122629 | 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 | 122629 | 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 | 176577 | 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 | 176577 | 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 | 122522 | 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 | 122522 | 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 | 122627 | 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 | 122627 | 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 | ||
| 2168 | 10748 | 38 | None | -4 | 9 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| 2181 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2182 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 27991 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 5311065 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL1429 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL264448 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00035 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2181 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 2182 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 27991 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 5311065 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| CHEMBL1429 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| CHEMBL264448 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| DB00035 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 118719835 | 122537 | 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 | 122537 | 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 | 178601 | 7 | 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 | 178601 | 7 | 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 | 182114 | 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 | 182114 | 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 | 122526 | 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 | 122526 | 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 | 177727 | 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 | 177727 | 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 | 177990 | 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 | 177990 | 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 | 182003 | 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 | 182003 | 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 | 122542 | 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 | 122542 | 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 | 122539 | 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 | 122539 | 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 | 176537 | 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 | 176537 | 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 | 178196 | 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 | 178196 | 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 | 180876 | 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 | 180876 | 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 | 178188 | 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 | 178188 | 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 | 180629 | 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 | 180629 | 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 | 181294 | 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 | 181294 | 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 | 122639 | 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 | 122639 | 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 | 122638 | 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 | 122638 | 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 | 180368 | 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 | 180368 | 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 | 180941 | 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 | 180941 | 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 | 122634 | 3 | 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 | 122634 | 3 | 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 | 175754 | 12 | 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 | 175754 | 12 | 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 | 177652 | 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 | 177652 | 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 | 122541 | 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 | 122541 | 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 | 122641 | 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 | 122641 | 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 | 180832 | 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 | 180832 | 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 | 122538 | 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 | 122538 | 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 | 179945 | 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 | 179945 | 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 | 176321 | 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 | 176321 | 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 | 175278 | 17 | 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 | 175278 | 17 | 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 | 9757 | 58 | None | -645 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2174 | 9757 | 58 | None | -645 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2176 | 9757 | 58 | None | -645 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 439302 | 9757 | 58 | None | -645 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL395429 | 9757 | 58 | None | -645 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00107 | 9757 | 58 | None | -645 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 118719845 | 122547 | 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 | 122547 | 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 | 176980 | 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 | 176980 | 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 | 122535 | 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 | 122535 | 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 | 182369 | 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 | 182369 | 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 | 122543 | 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 | 122543 | 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 | 122533 | 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 | 122533 | 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 | 122536 | 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 | 122536 | 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 | 178988 | 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 | 178988 | 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 | 122615 | 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 | 122615 | 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 | 180301 | 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 | 180301 | 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 | 177461 | 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 | 177461 | 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 | 122626 | 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 | 122626 | 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 | 122529 | 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 | 122529 | 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 | 180341 | 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 | 180341 | 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 | 10748 | 38 | None | -4 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 118476361 | 180514 | 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 | 180514 | 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 | 122640 | 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 | 122640 | 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 | 122540 | 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 | 122540 | 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 | 122630 | 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 | 122630 | 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 | 122622 | 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 | 122622 | 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 | 122637 | 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 | 122637 | 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 | 181390 | 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 | 181390 | 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 | 122531 | 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 | 122531 | 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 | 177447 | 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 | 177447 | 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 | 180305 | 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 | 180305 | 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 | 122523 | 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 | 122523 | 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 | 122625 | 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 | 122625 | 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 | 180170 | 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 | 180170 | 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 | 180643 | 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 | 180643 | 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 | 177689 | 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 | 177689 | 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 | 176390 | 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 | 176390 | 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 | 122544 | 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 | 122544 | 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 | 122611 | 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 | 122611 | 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 | 122633 | 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 | 122633 | 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 | 179039 | 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 | 179039 | 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 | 122521 | 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 | 122521 | 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 | 122520 | 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 | 122520 | 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 | 122546 | 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 | 122546 | 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 | 122636 | 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 | 122636 | 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 | 122545 | 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 | 122545 | 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 | 181184 | 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 | 181184 | 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 | 122621 | 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 | 122621 | 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 | 122616 | 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 | 122616 | 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 | 122631 | 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 | 122631 | 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 | 122642 | 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 | 122642 | 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 | 122632 | 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 | 122632 | 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 | 122635 | 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 | 122635 | 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 | 122610 | 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 | 122610 | 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 | 178838 | 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 | 178838 | 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 | 122530 | 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 | 122530 | 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 | 69109 | 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 | 69109 | 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 | 65392 | 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 | 65392 | 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 | 69091 | 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 | 69091 | 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 | 22831 | 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 | 22831 | 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 | 65399 | 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 | 65399 | 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 | 22854 | 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 | 22854 | 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 | 69083 | 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 | 69083 | 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 | 65411 | 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 | 65411 | 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 | 65396 | 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 | 65396 | 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 | 65401 | 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 | 65401 | 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 | 65391 | 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 | 65391 | 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 | 65397 | 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 | 65397 | 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 | 65420 | 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 | 65420 | 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 | 65424 | 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 | 65424 | 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 | 22796 | 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 | 22796 | 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 | 22828 | 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 | 22828 | 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 | 69093 | 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 | 69093 | 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 | 69099 | 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 | 69099 | 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 | 65421 | 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 | 65421 | 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 | 69098 | 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 | 69098 | 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 | 65426 | 14 | 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 | 65426 | 14 | 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 | 23032 | 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 | 23032 | 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 | 22854 | 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 | 22854 | 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 | 23040 | 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 | 23040 | 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 | 22795 | 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 | 22795 | 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 | 65419 | 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 | 65419 | 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 | 69090 | 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 | 69090 | 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 | 69095 | 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 | 69095 | 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 | 65407 | 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 | 65407 | 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 | 65394 | 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 | 65394 | 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 | 65418 | 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 | 65418 | 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 | 69094 | 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 | 69094 | 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 | 22809 | 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 | 22809 | 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 | 65415 | 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 | 65415 | 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 | 69087 | 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 | 69087 | 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 | 65426 | 14 | 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 | 65426 | 14 | 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 | 65426 | 14 | 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 | 65426 | 14 | 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 | 65398 | 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 | 65398 | 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 | 23039 | 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 | 23039 | 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 | 22812 | 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 | 22812 | 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 | 65402 | 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 | 65402 | 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 | 69085 | 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 | 69085 | 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 | 69084 | 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 | 69084 | 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 | 127023 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 4.1 | CCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 | 10.1021/jm020954v | ||
| CHEMBL35226 | 127023 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 4.1 | CCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 | 10.1021/jm020954v | ||
| 53324872 | 65408 | 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 | 65408 | 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 | 65403 | 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 | 65403 | 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 | 65414 | 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 | 65414 | 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 | 22829 | 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 | 22829 | 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 | 23051 | 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 | 23051 | 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 | 65395 | 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 | 65395 | 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 | 69105 | 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 | 69105 | 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 | 22811 | 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 | 22811 | 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 | 65406 | 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 | 65406 | 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 | 69088 | 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 | 69088 | 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 | 69092 | 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 | 69092 | 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 | 65416 | 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 | 65416 | 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 | 65427 | 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 | 65427 | 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 | 23050 | 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 | 23050 | 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 | 65412 | 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 | 65412 | 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 | 65425 | 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 | 65425 | 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 | 69097 | 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 | 69097 | 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 | 65404 | 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 | 65404 | 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 | 22797 | 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 | 22797 | 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 | 65423 | 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 | 65423 | 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 | 65417 | 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 | 65417 | 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 | 69107 | 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 | 69107 | 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 | 23033 | 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 | 23033 | 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 | 69103 | 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 | 69103 | 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 | 69086 | 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 | 69086 | 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 | 65413 | 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 | 65413 | 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 | 65427 | 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 | 65427 | 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 | 65427 | 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 | 65427 | 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 | 68914 | 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 | 68914 | 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 | 69100 | 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 | 69100 | 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 | 65409 | 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 | 65409 | 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 | 69102 | 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 | 69102 | 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 | 69089 | 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 | 69089 | 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 | 65405 | 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 | 65405 | 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 | 69108 | 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 | 69108 | 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 | 69106 | 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 | 69106 | 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 | 22830 | 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 | 22830 | 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 | 65422 | 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 | 65422 | 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 | 22810 | 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 | 22810 | 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 | 69104 | 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 | 69104 | 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 | 69082 | 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 | 69082 | 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 | 65393 | 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 | 65393 | 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 | 65410 | 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 | 65410 | 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 | 69096 | 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 | 69096 | 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 | 69101 | 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 | 69101 | 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 | 69155 | 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 | 69155 | 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 | 69156 | 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 | 69156 | 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 | 69153 | 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 | 69153 | 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 | 103685 | 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 | 103685 | 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 | 69152 | 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 | 69152 | 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 | 144174 | 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 | 144174 | 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 | 168393 | 19 | 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 | 168393 | 19 | 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 | 148497 | 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 | 148497 | 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 | 144908 | 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 | 144908 | 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 | ||
| DB00035 | 144908 | 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 | 103964 | 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 | 103964 | 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 | 91071 | 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 | 91071 | 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 | 168395 | 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 | 168395 | 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 | 69154 | 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 | 69154 | 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 | 144022 | 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 | 144022 | 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 | 91071 | 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 | 91071 | 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 | 10748 | 38 | None | 4 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 2810 | 10748 | 38 | None | 4 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 644077 | 10748 | 38 | None | 4 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| CHEMBL373742 | 10748 | 38 | None | 4 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| DB00067 | 10748 | 38 | None | 4 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 44419039 | 144174 | 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 | 144174 | 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 | 144908 | 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 | 144908 | 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 | ||
| DB00035 | 144908 | 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 | 143383 | 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 | 143383 | 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 | 69984 | 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 | 69984 | 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 | 216476 | 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 | 144000 | 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 | 144000 | 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 | 144173 | 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 | 144173 | 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 | 144000 | 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 | 144000 | 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 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| CHEMBL2369836 | 216480 | 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 | 67956 | 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 | 67956 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 144175 | 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 | 144175 | 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 | 148378 | 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 | 148378 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 67959 | 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 | 67959 | 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 | 67957 | 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 | 67957 | 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 | 10748 | 38 | None | -4 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL2369845 | 216487 | 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 | 168228 | 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 | 168228 | 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 | 69151 | 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 | 69151 | 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 | 173415 | 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 | 173415 | 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 | 90126 | 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 | 90126 | 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 | 216477 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 173407 | 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 | 173407 | 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 | 103684 | 17 | 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 | 103684 | 17 | 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 | 216475 | 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 | 69867 | 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 | 69867 | 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 | 69867 | 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 | 69161 | 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 | 69161 | 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 | 67958 | 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 | 67958 | 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 | 173415 | 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 | 173415 | 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 | 69146 | 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 | 69146 | 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 | 69164 | 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 | 69164 | 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 | 103684 | 17 | 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 | 103684 | 17 | 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 | 216483 | 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 | 67961 | 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 | 67961 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 216481 | 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 | 91079 | 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 | 91079 | 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 | 173628 | 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 | 173628 | 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 | 144020 | 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 | 144020 | 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 | 17089 | 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 | 17089 | 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 | 17089 | 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 | 69135 | 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 | 69135 | 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 | 69133 | 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 | 69133 | 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 | 69159 | 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 | 69159 | 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 | 205075 | 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 | 205075 | 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 | 173856 | 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 | 173856 | 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 | 205543 | 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 | 205543 | 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 | 168561 | 6 | 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 | 168561 | 6 | 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 | 205046 | 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 | 205046 | 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 | 205289 | 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 | 205289 | 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 | 76973 | 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 | 76973 | 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 | 203812 | 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 | 203812 | 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 | 216478 | 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 | 68916 | 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 | 68916 | 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 | 125418 | 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 | 125418 | 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 | 204696 | 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 | 204696 | 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 | 69994 | 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 | 69994 | 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 | 68623 | 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 | 68623 | 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 | 69997 | 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 | 69997 | 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 | 173979 | 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 | 173979 | 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 | 97455 | 1 | 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 | 97455 | 1 | 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 | 76974 | 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 | 76974 | 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 | 174122 | 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 | 174122 | 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 | 204670 | 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 | 204670 | 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 | 216486 | 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 | 168072 | 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 | 168072 | 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 | 168072 | 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 | 205542 | 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 | 205542 | 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 | 69869 | 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 | 69869 | 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 | 69869 | 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 | 173438 | 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 | 173438 | 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 | 70001 | 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 | 70001 | 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 | 205077 | 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 | 205077 | 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 | 205000 | 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 | 205000 | 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 | 216479 | 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 | 204671 | 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 | 204671 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 9757 | 58 | None | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2174 | 9757 | 58 | None | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2176 | 9757 | 58 | None | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 439302 | 9757 | 58 | None | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| CHEMBL395429 | 9757 | 58 | None | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| DB00107 | 9757 | 58 | None | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 68905061 | 173922 | 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 | 173922 | 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 | 69142 | 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 | 69142 | 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 | 69141 | 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 | 69141 | 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 | 173553 | 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 | 173553 | 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 | 216482 | 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 | 173838 | 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 | 173838 | 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 | 174026 | 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 | 174026 | 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 | 69162 | 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 | 69162 | 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 | 10748 | 38 | None | -4 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 54586390 | 69148 | 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 | 69148 | 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 | 69160 | 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 | 69160 | 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 | 69134 | 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 | 69134 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 173436 | 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 | 173436 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 204671 | 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 | 204671 | 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 | 212304 | 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 | 212304 | 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 | 205077 | 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 | 205077 | 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 | 205541 | 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 | 205541 | 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 | 173216 | 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 | 173216 | 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 | 69131 | 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 | 69131 | 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 | 69132 | 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 | 69132 | 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 | 10889 | 5 | 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 | 10889 | 5 | 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 | 10889 | 5 | 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 | 69149 | 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 | 69149 | 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 | 69144 | 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 | 69144 | 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 | 204690 | 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 | 204690 | 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 | 205049 | 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 | 205049 | 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 | 201645 | 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 | 201645 | 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 | 201645 | 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 | 204695 | 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 | 204695 | 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 | 69158 | 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 | 69158 | 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 | 203812 | 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 | 203812 | 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 | 204695 | 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 | 204695 | 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 | 69987 | 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 | 69987 | 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 | 204878 | 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 | 204878 | 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 | 103352 | 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 | 103352 | 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 | 216485 | 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 | 67960 | 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 | 67960 | 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 | 69147 | 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 | 69147 | 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 | 69163 | 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 | 69163 | 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 | 174005 | 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 | 174005 | 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 | 181608 | 10 | 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 | 181608 | 10 | 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 | 69140 | 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 | 69140 | 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 | 173424 | 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 | 173424 | 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 | 69136 | 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 | 69136 | 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 | 205046 | 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 | 205046 | 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 | 205049 | 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 | 205049 | 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 | 8986 | 15 | 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 | 8986 | 15 | 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 | 8986 | 15 | 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 | 173817 | 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 | 173817 | 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 | 69998 | 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 | 69998 | 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 | 205075 | 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 | 205075 | 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 | 216489 | 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 | 173737 | 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 | 173737 | 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 | 205120 | 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 | 205120 | 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 | 205101 | 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 | 205101 | 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 | 69143 | 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 | 69143 | 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 | 7306 | 46 | None | -114 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 3008 | 7306 | 46 | None | -114 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 5311010 | 7306 | 46 | None | -114 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 68613 | 7306 | 46 | None | -114 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| CHEMBL378642 | 7306 | 46 | None | -114 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| CHEMBL382301 | 7306 | 46 | None | -114 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| DB09059 | 7306 | 46 | None | -114 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 45483204 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 205289 | 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 | 205289 | 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 | 173365 | 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 | 173365 | 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 | 173490 | 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 | 173490 | 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 | 10450 | 7 | 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 | 10450 | 7 | 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 | 10450 | 7 | 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 | 173626 | 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 | 173626 | 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 | 173865 | 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 | 173865 | 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 | 69150 | 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 | 69150 | 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 | 8113 | 42 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 2182 | 8113 | 42 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 27991 | 8113 | 42 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 5311065 | 8113 | 42 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| CHEMBL1429 | 8113 | 42 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| CHEMBL264448 | 8113 | 42 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| DB00035 | 8113 | 42 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 44275104 | 104062 | 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 | 104062 | 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 | 69130 | 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 | 69130 | 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 | 69138 | 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 | 69138 | 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 | 70002 | 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 | 70002 | 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 | 205120 | 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 | 205120 | 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 | 204670 | 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 | 204670 | 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 | 69137 | 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 | 69137 | 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 | 173249 | 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 | 173249 | 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 | 167207 | 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 | 167207 | 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 | 205076 | 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 | 205076 | 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 | 205050 | 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 | 205050 | 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 | 69145 | 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 | 69145 | 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 | 69129 | 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 | 69129 | 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 | 205544 | 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 | 205544 | 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 | 69993 | 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 | 69993 | 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 | 205541 | 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 | 205541 | 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 | 216484 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 205025 | 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 | 205025 | 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 | 204678 | 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 | 204678 | 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 | 205260 | 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 | 205260 | 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 | 204690 | 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 | 204690 | 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 | 205050 | 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 | 205050 | 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 | 69157 | 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 | 69157 | 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 | 69139 | 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 | 69139 | 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 | 173190 | 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 | 173190 | 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 | 67962 | 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 | 67962 | 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 | 205076 | 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 | 205076 | 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 | 173313 | 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 | 173313 | 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 | 205543 | 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 | 205543 | 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 | 174054 | 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 | 174054 | 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 | 69995 | 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 | 69995 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 204666 | 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 | 173595 | 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 | 173595 | 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 | 103198 | 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 | 103198 | 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 | 216488 | 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 | 204696 | 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 | 204696 | 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 | 205544 | 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 | 205544 | 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 | 205260 | 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 | 205260 | 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 | 205542 | 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 | 205542 | 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 | 80425 | 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 | 80425 | 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 | 204678 | 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 | 204678 | 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 | 9757 | 58 | None | -645 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2174 | 9757 | 58 | None | -645 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2176 | 9757 | 58 | None | -645 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 439302 | 9757 | 58 | None | -645 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL395429 | 9757 | 58 | None | -645 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00107 | 9757 | 58 | None | -645 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 146681949 | 222856 | 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 | 222856 | 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 | 7947 | 50 | 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 | 7947 | 50 | 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 | 7947 | 50 | 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 | 7947 | 50 | 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 | 7947 | 50 | 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 | 7947 | 50 | 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 | 9384 | 74 | 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 | 9384 | 74 | 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 | 9384 | 74 | 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 | 9384 | 74 | 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 | 9384 | 74 | 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 | 9384 | 74 | 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 | 9384 | 74 | 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 | 9384 | 74 | 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 | 9728 | 56 | 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 | 9728 | 56 | 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 | 9728 | 56 | 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 | 10615 | 89 | 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 | 10615 | 89 | 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 | 10615 | 89 | 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 | ||
| 443894 | 10615 | 89 | 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 | 10615 | 89 | 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 | ||
| DB06212 | 10615 | 89 | 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 | 98610 | 10 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| CHEMBL2413154 | 98610 | 10 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| 4054 | 212280 | 72 | 3H-VASOPRESSIN | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL1699 | 212280 | 72 | 3H-VASOPRESSIN | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL807 | 212280 | 72 | 3H-VASOPRESSIN | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| None | 222772 | 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 | 9757 | 58 | 3H-AVP | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 9757 | 58 | 3H-AVP | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 9757 | 58 | 3H-AVP | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 9757 | 58 | 3H-AVP | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 9757 | 58 | 3H-AVP | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 9757 | 58 | 3H-AVP | -645 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 46783812 | 222858 | 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 | 222857 | 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 | 9757 | 58 | 3H-AVP | -20 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 9757 | 58 | 3H-AVP | -20 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 9757 | 58 | 3H-AVP | -20 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 9757 | 58 | 3H-AVP | -20 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 9757 | 58 | 3H-AVP | -20 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 9757 | 58 | 3H-AVP | -20 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 119369 | 9384 | 74 | 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 | 9384 | 74 | 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 | 9384 | 74 | 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 | 9384 | 74 | 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 | 223265 | 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 | 223265 | 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 | 222856 | 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 | 224484 | 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 | 222856 | 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 | 224484 | 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 | 8273 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2184 | 8273 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 1649739 | ||||
| 2184 | 8273 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2169 | 7254 | 0 | None | -25 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 68649 | 7254 | 0 | None | -25 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2172 | 9170 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2959 | 9170 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 644076 | 9170 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL1200690 | 9170 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB14642 | 9170 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2202 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 9537 | 33 | 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 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2168 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2168 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2168 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2168 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2168 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2168 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2168 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2168 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| 2168 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| 2810 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| 644077 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| CHEMBL373742 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| DB00067 | 10748 | 38 | None | -4 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2187 | 8123 | 0 | None | 89 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2187 | 8123 | 0 | None | 89 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2191 | 8227 | 0 | None | 398 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 158348 | 10260 | 18 | 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 | 10260 | 18 | 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 | 10260 | 18 | 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 | 10260 | 18 | 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 | 8135 | 0 | None | -3981 | 3 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2204 | 10889 | 5 | 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 | 10889 | 5 | 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 | 10889 | 5 | 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 | 9384 | 74 | 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 | 9384 | 74 | 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 | 9384 | 74 | 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 | 9384 | 74 | 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 | 10895 | 6 | 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 | 10895 | 6 | 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 | 10895 | 6 | 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 | 8137 | 0 | None | -39810 | 4 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2219 | 8136 | 0 | None | -6309 | 4 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | None | None | None | None | 11337500 | ||||
| 122322 | 8132 | 0 | None | -2511 | 3 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2217 | 8132 | 0 | None | -2511 | 3 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2209 | 9864 | 0 | None | -281 | 3 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2214 | 8127 | 0 | None | -19 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2215 | 8126 | 0 | None | -8 | 3 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2042 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2042 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2042 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2042 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2042 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2174 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2174 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2174 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2174 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2174 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2176 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2176 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2176 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2176 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2176 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 439302 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 439302 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 439302 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 439302 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 439302 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL395429 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| CHEMBL395429 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL395429 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL395429 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| CHEMBL395429 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| DB00107 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| DB00107 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00107 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00107 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| DB00107 | 9757 | 58 | None | -645 | 8 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2213 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2213 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 3008 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 3008 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 5311010 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 5311010 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 68613 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 68613 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| CHEMBL378642 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL378642 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| CHEMBL382301 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL382301 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| DB09059 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| DB09059 | 7306 | 46 | None | -114 | 5 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 2212 | 10532 | 0 | None | -501 | 3 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2223 | 8134 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2223 | 8134 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2223 | 8134 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2223 | 8134 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 6917952 | 8134 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 6917952 | 8134 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 6917952 | 8134 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 6917952 | 8134 | 0 | None | -125 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2200 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 10084 | 46 | 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 | 9863 | 0 | None | -31 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2211 | 9866 | 0 | None | -25 | 3 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2181 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2181 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2181 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2181 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2182 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2182 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2182 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2182 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 27991 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 27991 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 27991 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 27991 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 5311065 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 5311065 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 5311065 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 5311065 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL1429 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| CHEMBL1429 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL1429 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL1429 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL264448 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| CHEMBL264448 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL264448 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL264448 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00035 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| DB00035 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00035 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00035 | 8113 | 42 | None | -6 | 7 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2181 | 8113 | 42 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2182 | 8113 | 42 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 27991 | 8113 | 42 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 5311065 | 8113 | 42 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL1429 | 8113 | 42 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL264448 | 8113 | 42 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00035 | 8113 | 42 | None | -12 | 7 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2210 | 9865 | 0 | None | -12 | 3 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 119517 | 8256 | 0 | None | -7 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2225 | 8256 | 0 | None | -7 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2183 | 8295 | 0 | None | -3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2183 | 8295 | 0 | None | -3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 6441676 | 8295 | 0 | None | -3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 6441676 | 8295 | 0 | None | -3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2188 | 8125 | 0 | None | 316 | 4 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2195 | 9686 | 0 | None | -3 | 3 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2181 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2181 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2181 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2182 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2182 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2182 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 27991 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 27991 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 27991 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 5311065 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 5311065 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 5311065 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL1429 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL1429 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL1429 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL264448 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL264448 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL264448 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| DB00035 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| DB00035 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00035 | 8113 | 42 | None | -6 | 7 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 171113 | 10742 | 0 | None | 3 | 3 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2180 | 10742 | 0 | None | 3 | 3 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL3274309 | 10742 | 0 | None | 3 | 3 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2186 | 8124 | 0 | None | 501 | 4 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2190 | 8225 | 0 | None | 79 | 4 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2185 | 8274 | 0 | None | 1 | 3 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2189 | 8226 | 0 | None | 316 | 4 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2168 | 10748 | 38 | None | 4 | 9 | Rat | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2810 | 10748 | 38 | None | 4 | 9 | Rat | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 644077 | 10748 | 38 | None | 4 | 9 | Rat | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL373742 | 10748 | 38 | None | 4 | 9 | Rat | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00067 | 10748 | 38 | None | 4 | 9 | Rat | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||