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 |
| 137660341 | 166301 | 0 | None | 141 | 2 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | 1031 | 17 | 11 | 14 | -1.6 | 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](CC2CCCCC2)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4102192 | 166301 | 0 | None | 141 | 2 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | 1031 | 17 | 11 | 14 | -1.6 | 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](CC2CCCCC2)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 2042 | 9757 | 58 | None | 1 | 5 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 2174 | 9757 | 58 | None | 1 | 5 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 2176 | 9757 | 58 | None | 1 | 5 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 439302 | 9757 | 58 | None | 1 | 5 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 5 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| DB00107 | 9757 | 58 | None | 1 | 5 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 90680085 | 118278 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 951 | 18 | 12 | 14 | -3.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL3277916 | 118278 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 951 | 18 | 12 | 14 | -3.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137654006 | 165533 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 986 | 17 | 13 | 14 | -5.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4093931 | 165533 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 986 | 17 | 13 | 14 | -5.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137653847 | 165731 | 0 | None | 309 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 1005 | 17 | 11 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCCCC2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4095930 | 165731 | 0 | None | 309 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 1005 | 17 | 11 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCCCC2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137645401 | 164677 | 0 | None | 181 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 977 | 16 | 11 | 14 | -2.9 | 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](C(=O)NCC(N)=O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4084223 | 164677 | 0 | None | 181 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 977 | 16 | 11 | 14 | -2.9 | 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](C(=O)NCC(N)=O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137650792 | 164216 | 0 | None | 97 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 991 | 18 | 11 | 14 | -2.4 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=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)C(=O)NCC(N)=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4078856 | 164216 | 0 | None | 97 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 991 | 18 | 11 | 14 | -2.4 | CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=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)C(=O)NCC(N)=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137653639 | 165821 | 0 | None | 40 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 949 | 15 | 11 | 14 | -3.6 | 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](C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4096848 | 165821 | 0 | None | 40 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 949 | 15 | 11 | 14 | -3.6 | 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](C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 76073634 | 122634 | 3 | None | 3981 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Functional | 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/acs.jmedchem.8b01691 | ||
| CHEMBL3354594 | 122634 | 3 | None | 3981 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Functional | 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/acs.jmedchem.8b01691 | ||
| 137632034 | 163063 | 0 | None | 48 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 1019 | 20 | 11 | 14 | -1.6 | CCCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=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)C(=O)NCC(N)=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4065273 | 163063 | 0 | None | 48 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 1019 | 20 | 11 | 14 | -1.6 | CCCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=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)C(=O)NCC(N)=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137661047 | 166270 | 0 | None | 48 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 1019 | 20 | 11 | 14 | -1.6 | CCCCCCC(NC(=O)[C@@H]1CCCN1C(=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)C(=O)NCC(N)=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4101771 | 166270 | 0 | None | 48 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 1019 | 20 | 11 | 14 | -1.6 | CCCCCCC(NC(=O)[C@@H]1CCCN1C(=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)C(=O)NCC(N)=O | 10.1016/j.bmcl.2017.04.030 | ||
| 155536940 | 179027 | 0 | None | 17 | 3 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 1074 | 20 | 12 | 15 | -2.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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/acs.jmedchem.8b01691 | ||
| CHEMBL4474284 | 179027 | 0 | None | 17 | 3 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 1074 | 20 | 12 | 15 | -2.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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/acs.jmedchem.8b01691 | ||
| 137652597 | 165591 | 0 | None | 2 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 1034 | 19 | 14 | 15 | -4.3 | 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](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.bmcl.2017.04.030 | ||
| CHEMBL4094454 | 165591 | 0 | None | 2 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 1034 | 19 | 14 | 15 | -4.3 | 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](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.bmcl.2017.04.030 | ||
| 137654217 | 165457 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 987 | 15 | 14 | 14 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NNC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4092971 | 165457 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 987 | 15 | 14 | 14 | -5.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NNC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 155565903 | 182522 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 1024 | 21 | 13 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01691 | ||
| CHEMBL4583231 | 182522 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 1024 | 21 | 13 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01691 | ||
| 2042 | 9757 | 58 | None | 1 | 5 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | ||||
| 2174 | 9757 | 58 | None | 1 | 5 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | ||||
| 2176 | 9757 | 58 | None | 1 | 5 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | ||||
| 439302 | 9757 | 58 | None | 1 | 5 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 5 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | ||||
| DB00107 | 9757 | 58 | None | 1 | 5 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.12.027 | ||||
| 449224 | 175754 | 12 | None | 54 | 4 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL439044 | 175754 | 12 | None | 54 | 4 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| 2042 | 9757 | 58 | None | 1 | 5 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.05.062 | ||||
| 2174 | 9757 | 58 | None | 1 | 5 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.05.062 | ||||
| 2176 | 9757 | 58 | None | 1 | 5 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.05.062 | ||||
| 439302 | 9757 | 58 | None | 1 | 5 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.05.062 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 5 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.05.062 | ||||
| DB00107 | 9757 | 58 | None | 1 | 5 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.05.062 | ||||
| 449224 | 175754 | 12 | None | 54 | 4 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| CHEMBL439044 | 175754 | 12 | None | 54 | 4 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| 137647351 | 164334 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 995 | 19 | 12 | 15 | -3.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4080341 | 164334 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 995 | 19 | 12 | 15 | -3.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137648677 | 164744 | 0 | None | 44 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1025 | 17 | 11 | 14 | -2.3 | 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](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4084795 | 164744 | 0 | None | 44 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1025 | 17 | 11 | 14 | -2.3 | 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](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137634607 | 162886 | 0 | None | 11 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 965 | 16 | 12 | 15 | -4.6 | 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](CO)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4063150 | 162886 | 0 | None | 11 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 965 | 16 | 12 | 15 | -4.6 | 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](CO)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 90680084 | 118277 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 965 | 18 | 12 | 14 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL3277915 | 118277 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 965 | 18 | 12 | 14 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137661245 | 166252 | 0 | None | 123 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 950 | 15 | 11 | 14 | -2.8 | 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](CO)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4101586 | 166252 | 0 | None | 123 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 950 | 15 | 11 | 14 | -2.8 | 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](CO)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 90285421 | 121760 | 0 | None | -9 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 334 | 4 | 1 | 5 | 2.7 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| CHEMBL3342789 | 121760 | 0 | None | -9 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 334 | 4 | 1 | 5 | 2.7 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| 3601935 | 169142 | 2 | None | 1 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 271 | 3 | 1 | 4 | 1.9 | Cn1nccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| CHEMBL4165132 | 169142 | 2 | None | 1 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 271 | 3 | 1 | 4 | 1.9 | Cn1nccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| 137634089 | 163077 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 981 | 19 | 13 | 15 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4065416 | 163077 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 981 | 19 | 13 | 15 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 155527198 | 177957 | 0 | None | 8 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 1056 | 20 | 12 | 14 | -2.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[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/acs.jmedchem.8b01691 | ||
| CHEMBL4458988 | 177957 | 0 | None | 8 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 1056 | 20 | 12 | 14 | -2.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[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/acs.jmedchem.8b01691 | ||
| 2168 | 10748 | 38 | None | -97 | 6 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 2810 | 10748 | 38 | None | -97 | 6 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 644077 | 10748 | 38 | None | -97 | 6 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| CHEMBL373742 | 10748 | 38 | None | -97 | 6 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| DB00067 | 10748 | 38 | None | -97 | 6 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 76685194 | 121761 | 0 | None | -5 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.1 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| CHEMBL3342790 | 121761 | 0 | None | -5 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.1 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| 5014150 | 169634 | 1 | None | 1 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 305 | 3 | 1 | 4 | 2.2 | Cn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| CHEMBL4173036 | 169634 | 1 | None | 1 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 305 | 3 | 1 | 4 | 2.2 | Cn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| 137631348 | 163213 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 979 | 18 | 11 | 14 | -2.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4066923 | 163213 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 979 | 18 | 11 | 14 | -2.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137639236 | 163528 | 0 | None | 3 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 1025 | 17 | 11 | 14 | -2.3 | CC(C)C[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 | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4070577 | 163528 | 0 | None | 3 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 1025 | 17 | 11 | 14 | -2.3 | CC(C)C[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 | 10.1016/j.bmcl.2017.04.030 | ||
| 18779926 | 21209 | 52 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 34 | 0 | 0 | 0 | 0.1 | S | 10.1016/j.bmcl.2017.04.030 | ||
| 402 | 21209 | 52 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 34 | 0 | 0 | 0 | 0.1 | S | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL1200739 | 21209 | 52 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 34 | 0 | 0 | 0 | 0.1 | S | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4103942 | 21209 | 52 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 34 | 0 | 0 | 0 | 0.1 | S | 10.1016/j.bmcl.2017.04.030 | ||
| 137649234 | 163915 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1005 | 17 | 10 | 14 | -2.2 | 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)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4075102 | 163915 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1005 | 17 | 10 | 14 | -2.2 | 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)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137654919 | 165467 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1041 | 20 | 12 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4093088 | 165467 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1041 | 20 | 12 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 126705667 | 165767 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 970 | 17 | 12 | 13 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4096331 | 165767 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 970 | 17 | 12 | 13 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 155532160 | 178505 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1006 | 21 | 13 | 15 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01691 | ||
| CHEMBL4467042 | 178505 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1006 | 21 | 13 | 15 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01691 | ||
| 137648427 | 164626 | 0 | None | 20 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4083700 | 164626 | 0 | None | 20 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137652984 | 165408 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 975 | 17 | 10 | 13 | -2.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4092407 | 165408 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 975 | 17 | 10 | 13 | -2.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137659822 | 166162 | 0 | None | 288 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 934 | 14 | 10 | 13 | -1.8 | 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](C)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4100627 | 166162 | 0 | None | 288 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 934 | 14 | 10 | 13 | -1.8 | 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](C)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137641012 | 163825 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1007 | 18 | 12 | 15 | -3.7 | 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](CCC(=O)O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4073891 | 163825 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1007 | 18 | 12 | 15 | -3.7 | 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](CCC(=O)O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137639340 | 163682 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 985 | 16 | 12 | 13 | -4.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4072207 | 163682 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 985 | 16 | 12 | 13 | -4.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 118720268 | 122619 | 0 | None | 151 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01691 | ||
| CHEMBL3354579 | 122619 | 0 | None | 151 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01691 | ||
| 127051498 | 147375 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1005 | 17 | 10 | 14 | -2.2 | 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)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| CHEMBL3813771 | 147375 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1005 | 17 | 10 | 14 | -2.2 | 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)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| 2042 | 9757 | 58 | None | 1 | 5 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2174 | 9757 | 58 | None | 1 | 5 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2176 | 9757 | 58 | None | 1 | 5 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 439302 | 9757 | 58 | None | 1 | 5 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 5 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| DB00107 | 9757 | 58 | None | 1 | 5 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 137654665 | 165394 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1023 | 21 | 13 | 15 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4092242 | 165394 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1023 | 21 | 13 | 15 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 145964703 | 170830 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 822 | 12 | 8 | 12 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2COC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4208981 | 170830 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 822 | 12 | 8 | 12 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2COC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL3814633 | 219068 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | 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](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 145975112 | 170449 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 778 | 10 | 8 | 11 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4204637 | 170449 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 778 | 10 | 8 | 11 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL3814744 | 219069 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | 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)[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.2016.05.062 | ||||
| 137659747 | 166030 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1091 | 21 | 14 | 15 | -2.9 | 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)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4099102 | 166030 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1091 | 21 | 14 | 15 | -2.9 | 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)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 127049296 | 147455 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1019 | 17 | 9 | 14 | -1.9 | 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)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| CHEMBL3815099 | 147455 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1019 | 17 | 9 | 14 | -1.9 | 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)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| 145978563 | 170588 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 860 | 11 | 8 | 14 | -0.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2c2nnc(C)o2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4206141 | 170588 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 860 | 11 | 8 | 14 | -0.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2c2nnc(C)o2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| 145966784 | 171227 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 792 | 10 | 8 | 11 | -0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@@H]2C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4213896 | 171227 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 792 | 10 | 8 | 11 | -0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@@H]2C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| 2042 | 9757 | 58 | None | 1 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2174 | 9757 | 58 | None | 1 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2176 | 9757 | 58 | None | 1 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 439302 | 9757 | 58 | None | 1 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| DB00107 | 9757 | 58 | None | 1 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 145966470 | 171104 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 883 | 13 | 9 | 12 | 0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2CNc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4212399 | 171104 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 883 | 13 | 9 | 12 | 0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2CNc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| 137654009 | 165544 | 0 | None | 29 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 976 | 16 | 10 | 13 | -0.8 | 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](CC(C)C)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4094019 | 165544 | 0 | None | 29 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 976 | 16 | 10 | 13 | -0.8 | 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](CC(C)C)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 145974697 | 171451 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 855 | 11 | 8 | 12 | 0.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2c2ccccn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4216826 | 171451 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 855 | 11 | 8 | 12 | 0.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2c2ccccn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL3813894 | 219061 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | 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](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 137635522 | 162916 | 0 | None | 7 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1019 | 18 | 13 | 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](CCCNC(=N)N)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4063521 | 162916 | 0 | None | 7 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1019 | 18 | 13 | 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](CCCNC(=N)N)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 145976821 | 170441 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 821 | 11 | 9 | 12 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4204502 | 170441 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 821 | 11 | 9 | 12 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| 137643372 | 164886 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1005 | 17 | 11 | 14 | -2.2 | 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)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4086714 | 164886 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1005 | 17 | 11 | 14 | -2.2 | 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)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137638040 | 163534 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1050 | 22 | 15 | 15 | -3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4070617 | 163534 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1050 | 22 | 15 | 15 | -3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137635922 | 162748 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1047 | 19 | 11 | 14 | -1.1 | 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)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4061446 | 162748 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1047 | 19 | 11 | 14 | -1.1 | 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)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137647481 | 164587 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1081 | 19 | 11 | 14 | -0.9 | 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)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4083280 | 164587 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1081 | 19 | 11 | 14 | -0.9 | 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)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 145978698 | 170390 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 905 | 14 | 8 | 12 | -0.2 | 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)CCC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4203673 | 170390 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 905 | 14 | 8 | 12 | -0.2 | 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)CCC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| 145977344 | 170503 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 934 | 15 | 10 | 13 | -1.7 | 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(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4205163 | 170503 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 934 | 15 | 10 | 13 | -1.7 | 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(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| 11169 | 7584 | 37 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | 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 | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | 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 | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | 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 | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | 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 | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | 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 | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | 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 | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | 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 | ||||
| CHEMBL3814120 | 219062 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | 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](CC(C)C)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 2042 | 9757 | 58 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2174 | 9757 | 58 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2176 | 9757 | 58 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 439302 | 9757 | 58 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| DB00107 | 9757 | 58 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL1817752 | 215771 | 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 | ||||
| CHEMBL1819550 | 215804 | 0 | None | -47 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819550 | 215804 | 0 | None | -47 | 4 | Human | 7.0 | pEC50 | = | 7.0 | 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 | ||||
| 145960494 | 168340 | 0 | None | 20 | 4 | Human | 7.0 | pEC50 | = | 7.0 | 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 | 7.0 | pEC50 | = | 7.0 | 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 | ||
| CHEMBL1817761 | 215780 | 0 | None | -338 | 5 | Human | 7.0 | pEC50 | = | 7.0 | 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 | ||||
| CHEMBL1817752 | 215771 | 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 | ||||
| CHEMBL1817761 | 215780 | 0 | None | -338 | 5 | Human | 7.0 | pEC50 | = | 7.0 | 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 | ||||
| 11454 | 10350 | 11 | None | -93 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53330936 | 10350 | 11 | None | -93 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817709 | 10350 | 11 | None | -93 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB12495 | 10350 | 11 | None | -93 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 5329098 | 105351 | 79 | None | 1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 238 | 1 | 2 | 1 | 3.1 | Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 | nan | ||
| CHEMBL276711 | 105351 | 79 | None | 1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 238 | 1 | 2 | 1 | 3.1 | Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 | nan | ||
| 137658241 | 166386 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 964 | 16 | 11 | 14 | -2.4 | 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](CO)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4103260 | 166386 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 964 | 16 | 11 | 14 | -2.4 | 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](CO)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL1819547 | 215801 | 0 | None | -63 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | -63 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||||
| 90672737 | 117237 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 970 | 17 | 12 | 13 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL3246917 | 117237 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 970 | 17 | 12 | 13 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL3814126 | 219063 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1016/j.bmc.2016.05.062 | ||||
| 1112934 | 62868 | 8 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 4.7 | N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 | nan | ||
| CHEMBL1587205 | 62868 | 8 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 4.7 | N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 | nan | ||
| CHEMBL1625302 | 62868 | 8 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 4.7 | N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 | nan | ||
| 2168 | 10748 | 38 | None | -97 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2810 | 10748 | 38 | None | -97 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 644077 | 10748 | 38 | None | -97 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL373742 | 10748 | 38 | None | -97 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB00067 | 10748 | 38 | None | -97 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2168 | 10748 | 38 | None | -97 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2810 | 10748 | 38 | None | -97 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 644077 | 10748 | 38 | None | -97 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL373742 | 10748 | 38 | None | -97 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB00067 | 10748 | 38 | None | -97 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817705 | 215766 | 0 | None | -61 | 5 | 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](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 | ||||
| CHEMBL3813858 | 219059 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | 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)[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 135506374 | 144678 | 23 | None | -2 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 144678 | 23 | None | -2 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 25161471 | 61813 | 15 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 265 | 4 | 2 | 2 | 3.5 | Oc1ccc(Cl)cc1CNCc1ccc(F)cc1 | nan | ||
| CHEMBL1356933 | 61813 | 15 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 265 | 4 | 2 | 2 | 3.5 | Oc1ccc(Cl)cc1CNCc1ccc(F)cc1 | nan | ||
| CHEMBL1616435 | 61813 | 15 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 265 | 4 | 2 | 2 | 3.5 | Oc1ccc(Cl)cc1CNCc1ccc(F)cc1 | nan | ||
| 118716666 | 121767 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 437 | 4 | 1 | 6 | 3.5 | O=S(=O)(Nc1ccnn1-c1ncc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cc1 | 10.1021/ml5004348 | ||
| CHEMBL3342796 | 121767 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 437 | 4 | 1 | 6 | 3.5 | O=S(=O)(Nc1ccnn1-c1ncc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cc1 | 10.1021/ml5004348 | ||
| 90286664 | 121769 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 375 | 6 | 1 | 7 | 3.0 | CCc1ccc(S(=O)(=O)Nc2ccnn2-c2nc(C3CC3)ns2)cc1 | 10.1021/ml5004348 | ||
| CHEMBL3342798 | 121769 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 375 | 6 | 1 | 7 | 3.0 | CCc1ccc(S(=O)(=O)Nc2ccnn2-c2nc(C3CC3)ns2)cc1 | 10.1021/ml5004348 | ||
| CHEMBL1817705 | 215766 | 0 | None | -61 | 5 | 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](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 | ||||
| 2369069 | 186063 | 6 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 346 | 3 | 0 | 5 | 4.0 | CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1 | nan | ||
| CHEMBL473106 | 186063 | 6 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 346 | 3 | 0 | 5 | 4.0 | CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1 | nan | ||
| 137658004 | 166455 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 948 | 15 | 10 | 13 | -1.4 | 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](C)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4104022 | 166455 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 948 | 15 | 10 | 13 | -1.4 | 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](C)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 90286007 | 121765 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 382 | 4 | 1 | 5 | 3.4 | Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 | 10.1021/ml5004348 | ||
| CHEMBL3342794 | 121765 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 382 | 4 | 1 | 5 | 3.4 | Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 | 10.1021/ml5004348 | ||
| 53363016 | 71574 | 0 | None | -28 | 4 | Human | 6.8 | pEC50 | = | 6.8 | 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 | -28 | 4 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||
| CHEMBL3814232 | 219065 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 10444 | 9106 | 14 | None | 2 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 139030525 | 9106 | 14 | None | 2 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145711714 | 9106 | 14 | None | 2 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204210 | 9106 | 14 | None | 2 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL1819556 | 215809 | 0 | None | -190 | 4 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||||
| 2919564 | 36975 | 18 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 404 | 9 | 2 | 5 | 4.0 | COc1ccc(CCNCC(O)Cn2c3ccccc3c3ccccc32)cc1OC | nan | ||
| CHEMBL1390471 | 36975 | 18 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 404 | 9 | 2 | 5 | 4.0 | COc1ccc(CCNCC(O)Cn2c3ccccc3c3ccccc32)cc1OC | nan | ||
| 90285421 | 121760 | 0 | None | -9 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 334 | 4 | 1 | 5 | 2.7 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| CHEMBL3342789 | 121760 | 0 | None | -9 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 334 | 4 | 1 | 5 | 2.7 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| 90285421 | 121760 | 0 | None | -9 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 334 | 4 | 1 | 5 | 2.7 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 | 10.1021/ml5004348 | ||
| CHEMBL3342789 | 121760 | 0 | None | -9 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 334 | 4 | 1 | 5 | 2.7 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 | 10.1021/ml5004348 | ||
| 90285984 | 121764 | 5 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 352 | 4 | 1 | 5 | 2.9 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1F | 10.1021/ml5004348 | ||
| CHEMBL3342793 | 121764 | 5 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 352 | 4 | 1 | 5 | 2.9 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1F | 10.1021/ml5004348 | ||
| 145974945 | 171495 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 884 | 13 | 8 | 12 | 0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2COc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4217353 | 171495 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 884 | 13 | 8 | 12 | 0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2COc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| 42601352 | 42177 | 0 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 282 | 4 | 2 | 3 | 3.4 | Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 | nan | ||
| CHEMBL1437791 | 42177 | 0 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 282 | 4 | 2 | 3 | 3.4 | Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 | nan | ||
| CHEMBL3211384 | 42177 | 0 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 282 | 4 | 2 | 3 | 3.4 | Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 | nan | ||
| 2042 | 9757 | 58 | None | -1 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2174 | 9757 | 58 | None | -1 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2176 | 9757 | 58 | None | -1 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 439302 | 9757 | 58 | None | -1 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL395429 | 9757 | 58 | None | -1 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| DB00107 | 9757 | 58 | None | -1 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 11454 | 10350 | 11 | None | -93 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53330936 | 10350 | 11 | None | -93 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817709 | 10350 | 11 | None | -93 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB12495 | 10350 | 11 | None | -93 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 127049997 | 147367 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1019 | 17 | 9 | 14 | -1.9 | 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)N(C)CC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| CHEMBL3813707 | 147367 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1019 | 17 | 9 | 14 | -1.9 | 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)N(C)CC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| 155555127 | 181114 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1485 | 46 | 11 | 17 | 7.5 | CCCCCCCCCCCCCCCC(=O)N[C@H]1CSSC[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)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(OC(=O)OCCCCCCCCCCCCCC)cc2)NC1=O | 10.1016/j.bmc.2019.06.018 | ||
| CHEMBL4550879 | 181114 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1485 | 46 | 11 | 17 | 7.5 | CCCCCCCCCCCCCCCC(=O)N[C@H]1CSSC[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)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(OC(=O)OCCCCCCCCCCCCCC)cc2)NC1=O | 10.1016/j.bmc.2019.06.018 | ||
| 6174589 | 114363 | 7 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 379 | 6 | 2 | 6 | 2.0 | CCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccncc3)oc2c1 | nan | ||
| CHEMBL3189462 | 114363 | 7 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 379 | 6 | 2 | 6 | 2.0 | CCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccncc3)oc2c1 | nan | ||
| 137651797 | 163898 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1010 | 16 | 10 | 13 | -0.6 | 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](Cc2ccccc2)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4074898 | 163898 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1010 | 16 | 10 | 13 | -0.6 | 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](Cc2ccccc2)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL3814165 | 219064 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](N)CSSC[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.2016.05.062 | ||||
| 135506374 | 144678 | 23 | None | -2 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 144678 | 23 | None | -2 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 90285817 | 121762 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 351 | 4 | 1 | 4 | 3.5 | O=S(=O)(Nc1ccnn1-c1ccc(F)cc1)c1ccc(Cl)cc1 | 10.1021/ml5004348 | ||
| CHEMBL3342791 | 121762 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 351 | 4 | 1 | 4 | 3.5 | O=S(=O)(Nc1ccnn1-c1ccc(F)cc1)c1ccc(Cl)cc1 | 10.1021/ml5004348 | ||
| 10444 | 9106 | 14 | None | -2 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 139030525 | 9106 | 14 | None | -2 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145711714 | 9106 | 14 | None | -2 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204210 | 9106 | 14 | None | -2 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3814617 | 219067 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| CHEMBL1817756 | 215775 | 0 | None | -426 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 2042 | 9757 | 58 | None | 1 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2174 | 9757 | 58 | None | 1 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2176 | 9757 | 58 | None | 1 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 439302 | 9757 | 58 | None | 1 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| DB00107 | 9757 | 58 | None | 1 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL1817756 | 215775 | 0 | None | -426 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 23983726 | 55621 | 2 | None | -1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 472 | 1 | 3 | 3 | 6.2 | CC1(C)CC[C@@]2(C(=O)O)C(C1)C1=CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O | nan | ||
| CHEMBL1559201 | 55621 | 2 | None | -1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 472 | 1 | 3 | 3 | 6.2 | CC1(C)CC[C@@]2(C(=O)O)C(C1)C1=CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O | nan | ||
| 3650228 | 62759 | 6 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 402 | 5 | 2 | 3 | 5.1 | COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 | nan | ||
| CHEMBL1549574 | 62759 | 6 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 402 | 5 | 2 | 3 | 5.1 | COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 | nan | ||
| CHEMBL1624349 | 62759 | 6 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 402 | 5 | 2 | 3 | 5.1 | COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 | nan | ||
| 921775 | 48792 | 7 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 304 | 4 | 2 | 4 | 3.7 | COc1ccc(CNc2[nH]cnc3c4ccccc4nc2-3)cc1 | nan | ||
| CHEMBL1495292 | 48792 | 7 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 304 | 4 | 2 | 4 | 3.7 | COc1ccc(CNc2[nH]cnc3c4ccccc4nc2-3)cc1 | nan | ||
| 145973088 | 171481 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 681 | 9 | 8 | 10 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4217226 | 171481 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 681 | 9 | 8 | 10 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| 135413563 | 129708 | 25 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL360648 | 129708 | 25 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3813879 | 219060 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1016/j.bmc.2016.05.062 | ||||
| CHEMBL1819548 | 215802 | 0 | None | -53 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | ||||
| 135506374 | 144678 | 23 | None | 1 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.7b00965 | ||
| CHEMBL3763342 | 144678 | 23 | None | 1 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.7b00965 | ||
| CHEMBL1819548 | 215802 | 0 | None | -53 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](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 | -47 | 4 | Human | 7.5 | pEC50 | = | 7.5 | 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](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 | ||||
| 145963213 | 168260 | 0 | None | -8 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4127791 | 168260 | 0 | None | -8 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 135506374 | 144678 | 23 | None | -2 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 144678 | 23 | None | -2 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 2042 | 9757 | 58 | None | 1 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2015.11.050 | ||||
| 2174 | 9757 | 58 | None | 1 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2015.11.050 | ||||
| 2176 | 9757 | 58 | None | 1 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2015.11.050 | ||||
| 439302 | 9757 | 58 | None | 1 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2015.11.050 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2015.11.050 | ||||
| DB00107 | 9757 | 58 | None | 1 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2015.11.050 | ||||
| CHEMBL1819541 | 215795 | 0 | None | -14 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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 | ||||
| CHEMBL1819541 | 215795 | 0 | None | -14 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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 | ||||
| 137640630 | 163839 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1007 | 20 | 12 | 14 | -2.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4074033 | 163839 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1007 | 20 | 12 | 14 | -2.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 137656718 | 166332 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 941 | 17 | 10 | 13 | -2.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4102595 | 166332 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 941 | 17 | 10 | 13 | -2.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 145975622 | 170534 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 918 | 11 | 8 | 13 | -1.5 | 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)N2CCCN(C)CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4205509 | 170534 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 918 | 11 | 8 | 13 | -1.5 | 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)N2CCCN(C)CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL1819549 | 215803 | 0 | None | -47 | 4 | Human | 7.5 | pEC50 | = | 7.5 | 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](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 | ||||
| 145972114 | 171406 | 0 | None | -3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 515 | 4 | 2 | 6 | 3.4 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4216174 | 171406 | 0 | None | -3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 515 | 4 | 2 | 6 | 3.4 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 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 | ||||
| CHEMBL1817706 | 215767 | 0 | None | -309 | 5 | 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](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 | ||||
| CHEMBL1817706 | 215767 | 0 | None | -309 | 5 | 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](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817704 | 215765 | 0 | None | -257 | 5 | 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](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 | ||||
| 135413563 | 129708 | 25 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL360648 | 129708 | 25 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL1817704 | 215765 | 0 | None | -257 | 5 | 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](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 | ||||
| 145962220 | 168356 | 0 | None | 87 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)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 | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)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 | ||
| 127049996 | 147385 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1019 | 17 | 9 | 14 | -1.9 | 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)[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| CHEMBL3813883 | 147385 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1019 | 17 | 9 | 14 | -1.9 | 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)[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| 137637782 | 162782 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 949 | 15 | 11 | 14 | -3.6 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4061946 | 162782 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 949 | 15 | 11 | 14 | -3.6 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL3814395 | 219066 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC)CSSC[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.2016.05.062 | ||||
| 137654636 | 165314 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 965 | 16 | 12 | 15 | -4.6 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4091483 | 165314 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 965 | 16 | 12 | 15 | -4.6 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.bmcl.2017.04.030 | ||
| 11169 | 7584 | 37 | None | 1 | 5 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 1 | 5 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 1 | 5 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 1 | 5 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 1 | 5 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 1 | 5 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 1 | 5 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||||
| 135506374 | 144678 | 23 | None | -2 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL3763342 | 144678 | 23 | None | -2 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2017.10.059 | ||
| 135506374 | 144678 | 23 | None | -2 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763342 | 144678 | 23 | None | -2 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL1817708 | 215769 | 0 | None | -53 | 4 | 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](CCCNCCC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817708 | 215769 | 0 | None | -53 | 4 | 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](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 | ||||
| 90285722 | 121766 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 400 | 5 | 1 | 6 | 3.7 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(SC(F)(F)F)cc1 | 10.1021/ml5004348 | ||
| CHEMBL3342795 | 121766 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 400 | 5 | 1 | 6 | 3.7 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(SC(F)(F)F)cc1 | 10.1021/ml5004348 | ||
| 2042 | 9757 | 58 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2174 | 9757 | 58 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2176 | 9757 | 58 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 439302 | 9757 | 58 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| DB00107 | 9757 | 58 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 137648249 | 164767 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 992 | 17 | 11 | 14 | -1.9 | 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(=O)O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4085152 | 164767 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 992 | 17 | 11 | 14 | -1.9 | 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(=O)O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| 145975847 | 170501 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 882 | 13 | 8 | 11 | 1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2CCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4205128 | 170501 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 882 | 13 | 8 | 11 | 1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2CCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| 145977939 | 170726 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 724 | 10 | 9 | 11 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4207691 | 170726 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 724 | 10 | 9 | 11 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL3813722 | 219057 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | 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)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 90285477 | 121763 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 388 | 4 | 1 | 6 | 3.5 | Cc1csc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 | 10.1021/ml5004348 | ||
| CHEMBL3342792 | 121763 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 388 | 4 | 1 | 6 | 3.5 | Cc1csc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 | 10.1021/ml5004348 | ||
| 10444 | 9106 | 14 | None | -2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 139030525 | 9106 | 14 | None | -2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145711714 | 9106 | 14 | None | -2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204210 | 9106 | 14 | None | -2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145964151 | 171086 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 958 | 12 | 8 | 13 | -0.6 | 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)N2CCC(N3CCCC3)CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL4212247 | 171086 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 958 | 12 | 8 | 13 | -0.6 | 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)N2CCC(N3CCCC3)CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.12.027 | ||
| CHEMBL3813729 | 219058 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 135506374 | 144678 | 23 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763342 | 144678 | 23 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| 135506374 | 144678 | 23 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 144678 | 23 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 135506374 | 144678 | 23 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.7b00965 | ||
| CHEMBL3763342 | 144678 | 23 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.7b00965 | ||
| 10444 | 9106 | 14 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 139030525 | 9106 | 14 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145711714 | 9106 | 14 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204210 | 9106 | 14 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 11169 | 7584 | 37 | None | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||||
| 127051499 | 147389 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1019 | 17 | 9 | 14 | -1.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| CHEMBL3813982 | 147389 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1019 | 17 | 9 | 14 | -1.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| CHEMBL1819440 | 215792 | 23 | None | -204 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819440 | 215792 | 23 | None | -204 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 90285806 | 121768 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 432 | 5 | 1 | 7 | 2.4 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 | 10.1021/ml5004348 | ||
| CHEMBL3342797 | 121768 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 432 | 5 | 1 | 7 | 2.4 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 | 10.1021/ml5004348 | ||
| CHEMBL1817759 | 215778 | 0 | None | -53 | 3 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||||
| 135506374 | 144678 | 23 | None | 1 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 144678 | 23 | None | 1 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL1817759 | 215778 | 0 | None | -53 | 3 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||||
| 2042 | 9757 | 58 | None | 1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2174 | 9757 | 58 | None | 1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2176 | 9757 | 58 | None | 1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 439302 | 9757 | 58 | None | 1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| DB00107 | 9757 | 58 | None | 1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 76685194 | 121761 | 0 | None | -5 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.1 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| CHEMBL3342790 | 121761 | 0 | None | -5 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.1 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2017.05.013 | ||
| 76685194 | 121761 | 0 | None | -5 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.1 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 | 10.1021/ml5004348 | ||
| CHEMBL3342790 | 121761 | 0 | None | -5 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.1 | O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 | 10.1021/ml5004348 | ||
| 2168 | 10748 | 38 | None | -97 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2810 | 10748 | 38 | None | -97 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 644077 | 10748 | 38 | None | -97 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL373742 | 10748 | 38 | None | -97 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| DB00067 | 10748 | 38 | None | -97 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL1817763 | 215782 | 0 | None | -63 | 3 | Human | 6.1 | pEC50 | = | 6.1 | 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 | -63 | 3 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||||
| 135506374 | 144678 | 23 | None | -2 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 144678 | 23 | None | -2 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 137652261 | 163911 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1006 | 18 | 11 | 14 | -1.6 | 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](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4075079 | 163911 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1006 | 18 | 11 | 14 | -1.6 | 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](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL1819543 | 215797 | 0 | None | -18 | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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](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 | -18 | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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](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 | ||||
| 137653770 | 165543 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1063 | 20 | 12 | 15 | -2.3 | 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)N[C@@H](CCC(=O)O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL4094014 | 165543 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1063 | 20 | 12 | 15 | -2.3 | 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)N[C@@H](CCC(=O)O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL1817758 | 215777 | 0 | None | -63 | 3 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||||
| CHEMBL1817758 | 215777 | 0 | None | -63 | 3 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||||
| 90663156 | 113383 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 1377 | 36 | 13 | 17 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||
| CHEMBL3142545 | 113383 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 1377 | 36 | 13 | 17 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||
| CHEMBL3142790 | 113383 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 1377 | 36 | 13 | 17 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||
| 44459839 | 106612 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 573 | 12 | 3 | 7 | 2.3 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2cccs2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00201-3 | ||
| CHEMBL285608 | 106612 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 573 | 12 | 3 | 7 | 2.3 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2cccs2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00201-3 | ||
| 155520603 | 177282 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 431 | 6 | 0 | 7 | 4.0 | COCc1nnc(N2CCC(c3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4449435 | 177282 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 431 | 6 | 0 | 7 | 4.0 | COCc1nnc(N2CCC(c3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 10411308 | 208013 | 0 | None | -39 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL603708 | 208013 | 0 | None | -39 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 2213 | 7306 | 46 | None | 1 | 4 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2005.10.107 | ||||
| 3008 | 7306 | 46 | None | 1 | 4 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2005.10.107 | ||||
| 5311010 | 7306 | 46 | None | 1 | 4 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2005.10.107 | ||||
| 68613 | 7306 | 46 | None | 1 | 4 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2005.10.107 | ||||
| CHEMBL378642 | 7306 | 46 | None | 1 | 4 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2005.10.107 | ||||
| CHEMBL382301 | 7306 | 46 | None | 1 | 4 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2005.10.107 | ||||
| DB09059 | 7306 | 46 | None | 1 | 4 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2005.10.107 | ||||
| 155517601 | 176967 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 444 | 6 | 0 | 8 | 2.9 | COCc1nnc(N2CC3CN(c4ccc(F)cc4Cl)C3C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4444840 | 176967 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 444 | 6 | 0 | 8 | 2.9 | COCc1nnc(N2CC3CN(c4ccc(F)cc4Cl)C3C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 155516256 | 176817 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 473 | 7 | 0 | 8 | 4.2 | COCc1nnc(N2C3CCC2CC(Oc2ccc(F)cc2Cl)C3)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4442843 | 176817 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 473 | 7 | 0 | 8 | 4.2 | COCc1nnc(N2C3CCC2CC(Oc2ccc(F)cc2Cl)C3)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 9824954 | 80635 | 0 | None | -43 | 3 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 449 | 2 | 1 | 5 | 5.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL201889 | 80635 | 0 | None | -43 | 3 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 449 | 2 | 1 | 5 | 5.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| 44458614 | 105867 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 571 | 7 | 2 | 5 | 3.7 | C[C@@H](O)CN1CCC[C@@H](C(=O)NC2CC3CCC2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1 | 10.1021/jm970342o | ||
| CHEMBL280678 | 105867 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 571 | 7 | 2 | 5 | 3.7 | C[C@@H](O)CN1CCC[C@@H](C(=O)NC2CC3CCC2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1 | 10.1021/jm970342o | ||
| 142391767 | 176421 | 0 | None | 6 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 442 | 5 | 0 | 7 | 3.7 | COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc2c(c1)OCO2 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4437214 | 176421 | 0 | None | 6 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 442 | 5 | 0 | 7 | 3.7 | COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc2c(c1)OCO2 | 10.1021/acsmedchemlett.9b00186 | ||
| 155542139 | 179858 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 473 | 7 | 0 | 8 | 3.9 | COCc1nnc(N2C[C@H]3C[C@@H](Oc4ccc(F)cc4Cl)C[C@H]3C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4519861 | 179858 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 473 | 7 | 0 | 8 | 3.9 | COCc1nnc(N2C[C@H]3C[C@@H](Oc4ccc(F)cc4Cl)C[C@H]3C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 135413562 | 8986 | 15 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm050645f | ||
| 2194 | 8986 | 15 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm050645f | ||
| CHEMBL445816 | 8986 | 15 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm050645f | ||
| 135493119 | 85844 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 569 | 11 | 2 | 7 | 3.3 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113201 | 85844 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 569 | 11 | 2 | 7 | 3.3 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 135192983 | 182897 | 14 | None | 190 | 4 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 190 | 4 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
| 135399831 | 85837 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 597 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113189 | 85837 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 597 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 145961670 | 168143 | 0 | None | -123 | 4 | Human | 5.8 | pIC50 | = | 5.8 | 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 | -123 | 4 | Human | 5.8 | pIC50 | = | 5.8 | 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 | ||
| 135192979 | 182617 | 0 | None | 41 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 485 | 7 | 0 | 8 | 3.5 | COc1ccc(-n2c(CO[C@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4585239 | 182617 | 0 | None | 41 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 485 | 7 | 0 | 8 | 3.5 | COc1ccc(-n2c(CO[C@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 135192895 | 180765 | 0 | None | 8 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 485 | 7 | 0 | 8 | 3.5 | COc1ccc(-n2c(CO[C@@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4542267 | 180765 | 0 | None | 8 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 485 | 7 | 0 | 8 | 3.5 | COc1ccc(-n2c(CO[C@@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 135192936 | 179775 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2CC3CC3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4518063 | 179775 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2CC3CC3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 11683187 | 206711 | 44 | None | 20 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL594828 | 206711 | 44 | None | 20 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 135193003 | 182163 | 0 | None | 3 | 3 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 3 | 3 | Human | 6.6 | pIC50 | = | 6.6 | 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 | ||
| 155558305 | 181520 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 459 | 6 | 0 | 8 | 3.0 | COCc1nnc(N2CC3COCC3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4560499 | 181520 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 459 | 6 | 0 | 8 | 3.0 | COCc1nnc(N2CC3COCC3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 146238444 | 178449 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 417 | 6 | 0 | 7 | 3.6 | COCc1nnc(N2CCC(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4466263 | 178449 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 417 | 6 | 0 | 7 | 3.6 | COCc1nnc(N2CCC(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 155554422 | 181378 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 445 | 7 | 0 | 7 | 4.0 | COCc1nnc(C2CCN(Cc3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4557241 | 181378 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 445 | 7 | 0 | 7 | 4.0 | COCc1nnc(C2CCN(Cc3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 11465834 | 145200 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| CHEMBL377414 | 145200 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| 135192928 | 181683 | 0 | None | 125 | 4 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 125 | 4 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
| 1103817 | 23776 | 13 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL1254117 | 23776 | 13 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 135530014 | 85834 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 526 | 9 | 3 | 6 | 2.9 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113179 | 85834 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 526 | 9 | 3 | 6 | 2.9 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 145976595 | 170494 | 0 | None | -5 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4205046 | 170494 | 0 | None | -5 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 2213 | 7306 | 46 | None | -12 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.05.013 | ||||
| 3008 | 7306 | 46 | None | -12 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.05.013 | ||||
| 5311010 | 7306 | 46 | None | -12 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.05.013 | ||||
| 68613 | 7306 | 46 | None | -12 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.05.013 | ||||
| CHEMBL378642 | 7306 | 46 | None | -12 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.05.013 | ||||
| CHEMBL382301 | 7306 | 46 | None | -12 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.05.013 | ||||
| DB09059 | 7306 | 46 | None | -12 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.05.013 | ||||
| 155564470 | 182204 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 411 | 5 | 0 | 8 | 2.5 | COCc1nnc(N2CC3(CCc4cc(F)ccc4O3)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4576147 | 182204 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 411 | 5 | 0 | 8 | 2.5 | COCc1nnc(N2CC3(CCc4cc(F)ccc4O3)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 137212772 | 144718 | 0 | None | -3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL3763951 | 144718 | 0 | None | -3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| 137212772 | 144718 | 0 | None | -3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763951 | 144718 | 0 | None | -3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| 135192889 | 180828 | 0 | None | 25 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 425 | 5 | 0 | 6 | 4.1 | COc1ccc(-n2c(C3CC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4543809 | 180828 | 0 | None | 25 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 425 | 5 | 0 | 6 | 4.1 | COc1ccc(-n2c(C3CC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 135192997 | 180609 | 0 | None | 18 | 4 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 18 | 4 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
| 135508167 | 85833 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 596 | 10 | 3 | 8 | 2.8 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113177 | 85833 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 596 | 10 | 3 | 8 | 2.8 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 44459838 | 106398 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 635 | 12 | 3 | 6 | 3.6 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00201-3 | ||
| CHEMBL284120 | 106398 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 635 | 12 | 3 | 6 | 3.6 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00201-3 | ||
| 142391805 | 180756 | 0 | None | 35 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 435 | 5 | 0 | 6 | 4.2 | COc1ccc(-n2c(C(F)F)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4541860 | 180756 | 0 | None | 35 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 435 | 5 | 0 | 6 | 4.2 | COc1ccc(-n2c(C(F)F)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 145952624 | 169164 | 0 | None | -1 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 889 | 21 | 2 | 10 | 3.3 | CC[C@H](C)[C@@H](OC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| CHEMBL4165525 | 169164 | 0 | None | -1 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 889 | 21 | 2 | 10 | 3.3 | CC[C@H](C)[C@@H](OC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| 3537 | 10776 | 22 | None | -3 | 4 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 5311500 | 10776 | 22 | None | -3 | 4 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL363910 | 10776 | 22 | None | -3 | 4 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 145957924 | 168872 | 0 | None | -2 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 886 | 20 | 2 | 10 | 3.4 | CC[C@H](C)[C@@H](OC(=O)/C=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| CHEMBL4161021 | 168872 | 0 | None | -2 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 886 | 20 | 2 | 10 | 3.4 | CC[C@H](C)[C@@H](OC(=O)/C=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| 2213 | 7306 | 46 | None | -12 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 3008 | 7306 | 46 | None | -12 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 5311010 | 7306 | 46 | None | -12 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 68613 | 7306 | 46 | None | -12 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| CHEMBL378642 | 7306 | 46 | None | -12 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| CHEMBL382301 | 7306 | 46 | None | -12 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| DB09059 | 7306 | 46 | None | -12 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 135469700 | 85846 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 555 | 10 | 2 | 7 | 2.9 | CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113203 | 85846 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 555 | 10 | 2 | 7 | 2.9 | CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 145974527 | 171539 | 0 | None | -67 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 491 | 5 | 3 | 6 | 3.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4217872 | 171539 | 0 | None | -67 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 491 | 5 | 3 | 6 | 3.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 11683187 | 206711 | 44 | None | 20 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL594828 | 206711 | 44 | None | 20 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 135192930 | 177555 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | 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 | ||
| CHEMBL4452863 | 177555 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | 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 | ||
| 11683187 | 206711 | 44 | None | 20 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL594828 | 206711 | 44 | None | 20 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 2252 | 9011 | 48 | None | -141 | 4 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(02)00160-9 | ||
| 6918320 | 9011 | 48 | None | -141 | 4 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL24781 | 9011 | 48 | None | -141 | 4 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(02)00160-9 | ||
| 155537980 | 179113 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 397 | 5 | 0 | 8 | 2.2 | COCc1nnc(N2CC3(C2)OCc2cc(F)ccc23)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4475530 | 179113 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 397 | 5 | 0 | 8 | 2.2 | COCc1nnc(N2CC3(C2)OCc2cc(F)ccc23)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 145953024 | 169369 | 0 | None | -15 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 886 | 20 | 2 | 10 | 3.4 | CC[C@H](C)[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| CHEMBL4168948 | 169369 | 0 | None | -15 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 886 | 20 | 2 | 10 | 3.4 | CC[C@H](C)[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| 9871105 | 105444 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 513 | 5 | 2 | 4 | 3.6 | CC1(C)C2CCC1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C(NC(=O)C1CCCNC1)C2 | 10.1021/jm970342o | ||
| CHEMBL277400 | 105444 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 513 | 5 | 2 | 4 | 3.6 | CC1(C)C2CCC1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C(NC(=O)C1CCCNC1)C2 | 10.1021/jm970342o | ||
| 135476004 | 85836 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 597 | 10 | 2 | 8 | 2.7 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113185 | 85836 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 597 | 10 | 2 | 8 | 2.7 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 135414531 | 85851 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 586 | 13 | 2 | 8 | 3.1 | COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113208 | 85851 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 586 | 13 | 2 | 8 | 3.1 | COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 145970269 | 170361 | 0 | None | -15 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 475 | 5 | 3 | 6 | 2.5 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=O)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4203314 | 170361 | 0 | None | -15 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 475 | 5 | 3 | 6 | 2.5 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=O)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 135469685 | 85854 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 542 | 10 | 2 | 7 | 3.0 | COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113211 | 85854 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 542 | 10 | 2 | 7 | 3.0 | COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 135192948 | 182394 | 0 | None | 5 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 499 | 7 | 0 | 8 | 3.9 | COc1ccc(-n2c(COC3CCOCC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4580413 | 182394 | 0 | None | 5 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 499 | 7 | 0 | 8 | 3.9 | COc1ccc(-n2c(COC3CCOCC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 135530164 | 85843 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 570 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113200 | 85843 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 570 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 155568614 | 182904 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 444 | 6 | 0 | 8 | 2.9 | COCc1nnc(N2CC3CN(c4ccc(F)cc4Cl)CC32)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4591943 | 182904 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 444 | 6 | 0 | 8 | 2.9 | COCc1nnc(N2CC3CN(c4ccc(F)cc4Cl)CC32)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 11634973 | 82114 | 15 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 518 | 6 | 1 | 5 | 2.8 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL2037511 | 82114 | 15 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 518 | 6 | 1 | 5 | 2.8 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C | 10.1021/acsmedchemlett.9b00186 | ||
| 135192932 | 178307 | 0 | None | 190 | 4 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 190 | 4 | Human | 8.0 | pIC50 | = | 8.0 | 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 | ||
| 155565553 | 182386 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 446 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CCN(Cc3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4580192 | 182386 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 446 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CCN(Cc3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 14981575 | 85647 | 0 | None | 58 | 3 | Rat | 9.0 | pKd | = | 9 | Functional | ChEMBL | 582 | 10 | 1 | 7 | 2.1 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(C)C)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112896 | 85647 | 0 | None | 58 | 3 | Rat | 9.0 | pKd | = | 9 | Functional | ChEMBL | 582 | 10 | 1 | 7 | 2.1 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(C)C)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 10437668 | 85655 | 1 | None | 41 | 3 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112903 | 85655 | 1 | None | 41 | 3 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL1790200 | 215665 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)C(C)(C)SSC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)NCCCC[C@H](C(=O)NCC(N)=O)NC(=O)[C@H]3CCCN3C2=O)NC1=O | 10.1021/jm00087a009 | ||||
| 16737618 | 103657 | 0 | None | - | 1 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 1053 | 17 | 11 | 14 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2Cc3ccccc3C[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.ejmech.2006.12.016 | ||
| CHEMBL265630 | 103657 | 0 | None | - | 1 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 1053 | 17 | 11 | 14 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2Cc3ccccc3C[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.ejmech.2006.12.016 | ||
| CHEMBL539918 | 222492 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/j.ejmech.2008.12.010 | ||||
| CHEMBL435159 | 220441 | 0 | None | - | 1 | Rat | 7.0 | pKd | = | 7 | 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)N2Cc3ccccc3C[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.ejmech.2006.12.016 | ||||
| CHEMBL261938 | 217301 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | None | None | None | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm058038f | ||||
| 44429299 | 176029 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1035 | 20 | 11 | 14 | -1.3 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL441128 | 176029 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1035 | 20 | 11 | 14 | -1.3 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)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 | 10.1016/j.ejmech.2006.12.016 | ||
| 44429298 | 154232 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1033 | 19 | 10 | 14 | -1.5 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCCC[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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL393020 | 154232 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1033 | 19 | 10 | 14 | -1.5 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCCC[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 | 10.1016/j.ejmech.2006.12.016 | ||
| 16736614 | 155816 | 0 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 975 | 16 | 10 | 13 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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.ejmech.2006.12.016 | ||
| CHEMBL394268 | 155816 | 0 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 975 | 16 | 10 | 13 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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.ejmech.2006.12.016 | ||
| 44429304 | 94040 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1062 | 19 | 10 | 14 | -0.7 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N3CCCC[C@@H]3C(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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL233080 | 94040 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1062 | 19 | 10 | 14 | -0.7 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N3CCCC[C@@H]3C(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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL1790192 | 215663 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)C(C)(C)SSC[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/jm00087a009 | ||||
| CHEMBL2021547 | 215908 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | None | None | None | C=C(C)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||||
| 45270786 | 202669 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 1168 | 18 | 12 | 13 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(c2ccccc2)c2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL558950 | 202669 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 1168 | 18 | 12 | 13 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(c2ccccc2)c2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL2367696 | 216364 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | None | None | None | C=C(C)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||||
| 42645836 | 201585 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1128 | 20 | 13 | 14 | -2.2 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL538934 | 201585 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1128 | 20 | 13 | 14 | -2.2 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||
| 2192 | 9137 | 28 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| 9690136 | 9137 | 28 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| CHEMBL1254024 | 9137 | 28 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| 44429288 | 94784 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1081 | 19 | 10 | 14 | -0.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL234377 | 94784 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1081 | 19 | 10 | 14 | -0.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[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 | 10.1016/j.ejmech.2006.12.016 | ||
| 44429307 | 155814 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 1003 | 18 | 10 | 13 | -1.7 | CCc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL394266 | 155814 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 1003 | 18 | 10 | 13 | -1.7 | CCc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[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 | 10.1016/j.ejmech.2006.12.016 | ||
| 44408817 | 144738 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 1050 | 17 | 9 | 14 | -2.7 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](N)C(=O)N2CCN(C(=O)[C@@H]2Cc2ccccc2)[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/jm058038f | ||
| CHEMBL376412 | 144738 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 1050 | 17 | 9 | 14 | -2.7 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](N)C(=O)N2CCN(C(=O)[C@@H]2Cc2ccccc2)[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/jm058038f | ||
| CHEMBL1790202 | 215666 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)C(C)(C)SSC[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)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm00087a009 | ||||
| 42645362 | 201693 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1128 | 20 | 13 | 14 | -2.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL541246 | 201693 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1128 | 20 | 13 | 14 | -2.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||
| 42646319 | 201673 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1099 | 18 | 12 | 13 | -0.9 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(c2ccccc2)c2ccccc2)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 | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL540754 | 201673 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1099 | 18 | 12 | 13 | -0.9 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(c2ccccc2)c2ccccc2)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 | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL1790198 | 215664 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)C(C)(C)SSC[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)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm00087a009 | ||||
| 44429303 | 154233 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1007 | 20 | 11 | 14 | -1.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL393021 | 154233 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1007 | 20 | 11 | 14 | -1.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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 | 10.1016/j.ejmech.2006.12.016 | ||
| 44408952 | 163069 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 1103 | 17 | 8 | 13 | 0.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC2(CCCCC2)CC(=O)N2CCN(C(=O)[C@@H]2Cc2ccccc2)[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/jm058038f | ||
| CHEMBL406533 | 163069 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 1103 | 17 | 8 | 13 | 0.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC2(CCCCC2)CC(=O)N2CCN(C(=O)[C@@H]2Cc2ccccc2)[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/jm058038f | ||
| CHEMBL558740 | 222520 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/j.ejmech.2008.12.010 | ||||
| CHEMBL397407 | 219282 | 0 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2Cc3ccccc3C[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.ejmech.2006.12.016 | ||||
| 16109438 | 103352 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | 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 | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | 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 | ||
| 10461270 | 10450 | 7 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | 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 | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | 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 | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | 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 | ||
| 16736613 | 94122 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 991 | 19 | 11 | 13 | -1.8 | CCc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL233281 | 94122 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 991 | 19 | 11 | 13 | -1.8 | CCc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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 | 10.1016/j.ejmech.2006.12.016 | ||
| 44408951 | 162012 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 1035 | 17 | 8 | 13 | -1.6 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N2CCN(C(=O)[C@@H]2Cc2ccccc2)[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/jm058038f | ||
| CHEMBL402693 | 162012 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 1035 | 17 | 8 | 13 | -1.6 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N2CCN(C(=O)[C@@H]2Cc2ccccc2)[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/jm058038f | ||
| 16109437 | 91079 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | 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 | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | 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 | ||
| 16737617 | 168712 | 0 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 1053 | 17 | 11 | 14 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2Cc3ccccc3C[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.ejmech.2006.12.016 | ||
| CHEMBL415418 | 168712 | 0 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 1053 | 17 | 11 | 14 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2Cc3ccccc3C[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.ejmech.2006.12.016 | ||
| 44429300 | 93794 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 1035 | 18 | 11 | 14 | -1.3 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)(C)C)NC2=O)cc1 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL232501 | 93794 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 1035 | 18 | 11 | 14 | -1.3 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)(C)C)NC2=O)cc1 | 10.1016/j.ejmech.2006.12.016 | ||
| 16736414 | 155815 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 991 | 19 | 11 | 13 | -1.8 | CCc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL394267 | 155815 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 991 | 19 | 11 | 13 | -1.8 | CCc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL267214 | 217494 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | None | None | None | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@](N)(CO)CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm058038f | ||||
| 44429295 | 175729 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 1110 | 19 | 10 | 14 | -0.1 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL438849 | 175729 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 1110 | 19 | 10 | 14 | -0.1 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL394411 | 219252 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N3CCC[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 | 10.1016/j.ejmech.2006.12.016 | ||||
| 16109444 | 168228 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | 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 | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | 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 | ||
| 16109439 | 144020 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | 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 | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | 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 | ||
| 16736613 | 94122 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 991 | 19 | 11 | 13 | -1.8 | CCc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL233281 | 94122 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 991 | 19 | 11 | 13 | -1.8 | CCc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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 | 10.1016/j.ejmech.2006.12.016 | ||
| 2213 | 7306 | 46 | None | 1 | 4 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| 3008 | 7306 | 46 | None | 1 | 4 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| 5311010 | 7306 | 46 | None | 1 | 4 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| 68613 | 7306 | 46 | None | 1 | 4 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| CHEMBL378642 | 7306 | 46 | None | 1 | 4 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| CHEMBL382301 | 7306 | 46 | None | 1 | 4 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| DB09059 | 7306 | 46 | None | 1 | 4 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| CHEMBL563952 | 222530 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | 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)NC2(Cc3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||||
| 44409014 | 172888 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 1144 | 20 | 13 | 15 | -2.8 | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(c2ccccc2)c2ccccc2)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/jm058038f | ||
| CHEMBL425991 | 172888 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 1144 | 20 | 13 | 15 | -2.8 | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(c2ccccc2)c2ccccc2)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/jm058038f | ||
| 45270785 | 202259 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 1197 | 20 | 13 | 14 | -0.5 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL552946 | 202259 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 1197 | 20 | 13 | 14 | -0.5 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||
| 44429290 | 94144 | 0 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 1081 | 19 | 10 | 14 | -0.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL233328 | 94144 | 0 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 1081 | 19 | 10 | 14 | -0.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[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 | 10.1016/j.ejmech.2006.12.016 | ||
| 56668141 | 69962 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 989 | 9 | 11 | 14 | -2.8 | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)NCCCC[C@H](C(=O)NCC(N)=O)NC(=O)[C@H]3CCCN3C2=O)NC1=O | 10.1021/jm00087a009 | ||
| CHEMBL1790201 | 69962 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 989 | 9 | 11 | 14 | -2.8 | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)NCCCC[C@H](C(=O)NCC(N)=O)NC(=O)[C@H]3CCCN3C2=O)NC1=O | 10.1021/jm00087a009 | ||
| 42645836 | 201585 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 1128 | 20 | 13 | 14 | -2.2 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL538934 | 201585 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 1128 | 20 | 13 | 14 | -2.2 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1016/j.ejmech.2008.12.010 | ||
| 45267363 | 202296 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 1107 | 17 | 12 | 14 | -1.2 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL553710 | 202296 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 1107 | 17 | 12 | 14 | -1.2 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/j.ejmech.2008.12.010 | ||
| CHEMBL415417 | 219967 | 0 | None | - | 1 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(C)(C)C)C(=O)NCC(N)=O | 10.1016/j.ejmech.2006.12.016 | ||||
| 44408750 | 163392 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 1213 | 20 | 13 | 15 | -1.0 | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(c2ccccc2)c2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm058038f | ||
| CHEMBL406896 | 163392 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 1213 | 20 | 13 | 15 | -1.0 | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(c2ccccc2)c2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm058038f | ||
| 44429294 | 175098 | 0 | None | - | 1 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 1184 | 18 | 9 | 14 | 0.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3Cc4ccccc4C[C@@H]3C(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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL434193 | 175098 | 0 | None | - | 1 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 1184 | 18 | 9 | 14 | 0.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3Cc4ccccc4C[C@@H]3C(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 | 10.1016/j.ejmech.2006.12.016 | ||
| 44429307 | 155814 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 1003 | 18 | 10 | 13 | -1.7 | CCc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL394266 | 155814 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 1003 | 18 | 10 | 13 | -1.7 | CCc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[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 | 10.1016/j.ejmech.2006.12.016 | ||
| 46225048 | 208592 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 415 | 5 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3cc(F)cc(F)c3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL606976 | 208592 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 415 | 5 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3cc(F)cc(F)c3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 42611262 | 187338 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL475395 | 187338 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 11848692 | 185309 | 1 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 396 | 4 | 0 | 7 | 3.9 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3cccc(F)c3Cl)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL466762 | 185309 | 1 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 396 | 4 | 0 | 7 | 3.9 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3cccc(F)c3Cl)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | ||
| 2202 | 9537 | 33 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | 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 | 8.8 | pKi | = | 8.8 | 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 | 8.8 | pKi | = | 8.8 | 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 | 8.8 | pKi | = | 8.8 | 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 | ||
| 11465834 | 145200 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| CHEMBL377414 | 145200 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| 44581242 | 182666 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 475 | 8 | 0 | 6 | 4.9 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL458635 | 182666 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 475 | 8 | 0 | 6 | 4.9 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44571488 | 190601 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 396 | 6 | 0 | 3 | 5.0 | N#Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL480584 | 190601 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 396 | 6 | 0 | 3 | 5.0 | N#Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44571389 | 190844 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 5.6 | O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL482322 | 190844 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 5.6 | O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 71452693 | 85438 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 711 | 8 | 6 | 7 | 2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@H](C)CC)NC1=O | 10.1016/s0960-894x(99)00478-3 | ||
| CHEMBL2112376 | 85438 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 711 | 8 | 6 | 7 | 2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@H](C)CC)NC1=O | 10.1016/s0960-894x(99)00478-3 | ||
| 44579401 | 193876 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 354 | 7 | 0 | 7 | 3.2 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL491422 | 193876 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 354 | 7 | 0 | 7 | 3.2 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| 46830094 | 15206 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 392 | 7 | 0 | 6 | 3.5 | COCCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1093599 | 15206 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 392 | 7 | 0 | 6 | 3.5 | COCCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 46881861 | 15044 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 345 | 4 | 0 | 4 | 2.9 | COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL1092499 | 15044 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 345 | 4 | 0 | 4 | 2.9 | COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| 46225023 | 206322 | 1 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 365 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592250 | 206322 | 1 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 365 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46884439 | 15175 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 378 | 7 | 0 | 6 | 3.1 | COCCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1093365 | 15175 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 378 | 7 | 0 | 6 | 3.1 | COCCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 45271574 | 203355 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 374 | 5 | 0 | 8 | 3.5 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3C)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL563905 | 203355 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 374 | 5 | 0 | 8 | 3.5 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3C)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 44572048 | 196293 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(-c2ccccc2)ccc1C(=O)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL514031 | 196293 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(-c2ccccc2)ccc1C(=O)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 46884437 | 14511 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 348 | 5 | 0 | 5 | 3.5 | CCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1089025 | 14511 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 348 | 5 | 0 | 5 | 3.5 | CCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 46844643 | 12375 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 359 | 5 | 0 | 4 | 3.2 | CCN(C(=O)N1CC(Oc2cccc(F)c2C)C1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL1077300 | 12375 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 359 | 5 | 0 | 4 | 3.2 | CCN(C(=O)N1CC(Oc2cccc(F)c2C)C1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.01.143 | ||
| 46830095 | 15035 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 376 | 5 | 0 | 5 | 4.2 | COc1ccc(N(C(=O)c2cnc(-c3cccc(C)c3C)cn2)C(C)C)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1092459 | 15035 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 376 | 5 | 0 | 5 | 4.2 | COc1ccc(N(C(=O)c2cnc(-c3cccc(C)c3C)cn2)C(C)C)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| 11475469 | 185573 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 413 | 6 | 0 | 9 | 3.1 | COCc1nnc(-c2cnc(-c3ccc(C#N)cc3C)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL469005 | 185573 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 413 | 6 | 0 | 9 | 3.1 | COCc1nnc(-c2cnc(-c3ccc(C#N)cc3C)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 45271580 | 201831 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 392 | 5 | 0 | 8 | 3.7 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3cccc(F)c3C)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL549494 | 201831 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 392 | 5 | 0 | 8 | 3.7 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3cccc(F)c3C)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 4353841 | 196053 | 2 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 341 | 4 | 0 | 4 | 4.9 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL511908 | 196053 | 2 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 341 | 4 | 0 | 4 | 4.9 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 44579400 | 193875 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 324 | 5 | 0 | 6 | 3.4 | CCOc1ccc(-c2nnc(C)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL491421 | 193875 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 324 | 5 | 0 | 6 | 3.4 | CCOc1ccc(-c2nnc(C)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| 44579441 | 193606 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 374 | 7 | 0 | 7 | 3.5 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1Cl | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL489386 | 193606 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 374 | 7 | 0 | 7 | 3.5 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1Cl | 10.1016/j.bmcl.2008.08.066 | ||
| 44571386 | 190845 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 403 | 6 | 0 | 2 | 5.6 | Cc1cc(F)ccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL482323 | 190845 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 403 | 6 | 0 | 2 | 5.6 | Cc1cc(F)ccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 46884438 | 14512 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 362 | 5 | 0 | 5 | 3.9 | COc1ccc(N(C(=O)c2cnc(-c3ccccc3C)cn2)C(C)C)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1089026 | 14512 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 362 | 5 | 0 | 5 | 3.9 | COc1ccc(N(C(=O)c2cnc(-c3ccccc3C)cn2)C(C)C)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| 46881859 | 15042 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 345 | 4 | 0 | 4 | 2.9 | COc1ccc(N(C)C(=O)N2CC(Oc3cccc(F)c3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL1092497 | 15042 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 345 | 4 | 0 | 4 | 2.9 | COc1ccc(N(C)C(=O)N2CC(Oc3cccc(F)c3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| 44577937 | 185361 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 402 | 7 | 0 | 7 | 4.2 | COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467185 | 185361 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 402 | 7 | 0 | 7 | 4.2 | COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 44577939 | 195969 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 406 | 6 | 0 | 8 | 3.4 | COCc1nnc(-c2cnc(-c3ccc(F)c(C)c3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL511265 | 195969 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 406 | 6 | 0 | 8 | 3.4 | COCc1nnc(-c2cnc(-c3ccc(F)c(C)c3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 11667812 | 206666 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL594591 | 206666 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 11667812 | 206666 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL594591 | 206666 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| 46225080 | 206393 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 413 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC[C@@H](Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592732 | 206393 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 413 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC[C@@H](Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46225049 | 207923 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 351 | 5 | 0 | 7 | 2.6 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL603205 | 207923 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 351 | 5 | 0 | 7 | 2.6 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46225153 | 205890 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 399 | 7 | 0 | 8 | 2.5 | COCc1nnc(N2CC(Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL589128 | 205890 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 399 | 7 | 0 | 8 | 2.5 | COCc1nnc(N2CC(Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 11486351 | 199756 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 398 | 10 | 0 | 8 | 3.2 | CCOc1ccc(-c2nnc(COCCOC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL522255 | 199756 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 398 | 10 | 0 | 8 | 3.2 | CCOc1ccc(-c2nnc(COCCOC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| 46881932 | 14558 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3cccc(F)c3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL1089391 | 14558 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3cccc(F)c3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| 44579402 | 199431 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 408 | 7 | 0 | 7 | 3.9 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C(F)(F)F | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL521789 | 199431 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 408 | 7 | 0 | 7 | 3.9 | CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C(F)(F)F | 10.1016/j.bmcl.2008.08.066 | ||
| 45268188 | 202991 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 406 | 6 | 0 | 9 | 4.0 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3SC)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL561520 | 202991 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 406 | 6 | 0 | 9 | 4.0 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3SC)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 44571492 | 190747 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 4.8 | O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL481730 | 190747 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 4.8 | O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 5002508 | 182840 | 2 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 460 | 6 | 0 | 5 | 4.4 | COc1ccc(N(Cc2cc3cccc4c3n(c2=O)CCC4)S(=O)(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL459073 | 182840 | 2 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 460 | 6 | 0 | 5 | 4.4 | COc1ccc(N(Cc2cc3cccc4c3n(c2=O)CCC4)S(=O)(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44572047 | 187486 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 360 | 6 | 0 | 3 | 4.3 | N#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL475561 | 187486 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 360 | 6 | 0 | 3 | 4.3 | N#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 53325929 | 63545 | 0 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | 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 | 4.7 | pKi | = | 4.7 | 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 | ||
| 44577982 | 185417 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 378 | 4 | 0 | 7 | 3.8 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccccc3Cl)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467545 | 185417 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 378 | 4 | 0 | 7 | 3.8 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccccc3Cl)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | ||
| 11502419 | 206353 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 409 | 7 | 0 | 8 | 3.2 | COCc1nnc(N2CCC(Oc3ccccc3C)CC2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592495 | 206353 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 409 | 7 | 0 | 8 | 3.2 | COCc1nnc(N2CCC(Oc3ccccc3C)CC2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 11618185 | 207826 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 397 | 5 | 0 | 7 | 3.5 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3cccc(F)c3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL602545 | 207826 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 397 | 5 | 0 | 7 | 3.5 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3cccc(F)c3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 15548578 | 85440 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 742 | 12 | 8 | 8 | 1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@H](C)CC)NC1=O | 10.1016/s0960-894x(99)00478-3 | ||
| CHEMBL2112378 | 85440 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 742 | 12 | 8 | 8 | 1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@H](C)CC)NC1=O | 10.1016/s0960-894x(99)00478-3 | ||
| 2252 | 9011 | 48 | None | 141 | 4 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/j.bmcl.2008.06.098 | ||
| 6918320 | 9011 | 48 | None | 141 | 4 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL24781 | 9011 | 48 | None | 141 | 4 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/j.bmcl.2008.06.098 | ||
| 44578010 | 195958 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 402 | 6 | 0 | 8 | 3.6 | COCc1nnc(-c2cnc(-c3ccc(C)c(C)c3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL511215 | 195958 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 402 | 6 | 0 | 8 | 3.6 | COCc1nnc(-c2cnc(-c3ccc(C)c(C)c3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 46225082 | 206394 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 395 | 7 | 0 | 8 | 2.8 | COCc1nnc(N2CC[C@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592733 | 206394 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 395 | 7 | 0 | 8 | 2.8 | COCc1nnc(N2CC[C@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46884440 | 15176 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 352 | 4 | 0 | 5 | 3.3 | COc1ccc(N(C)C(=O)c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1093366 | 15176 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 352 | 4 | 0 | 5 | 3.3 | COc1ccc(N(C)C(=O)c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| 45272485 | 203208 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 394 | 5 | 0 | 8 | 3.9 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3Cl)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL562946 | 203208 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 394 | 5 | 0 | 8 | 3.9 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3Cl)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 46883884 | 15172 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 312 | 4 | 0 | 5 | 3.1 | COc1ccc2oc(C(=O)N(C)c3ccc(OC)nc3)cc2c1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1093340 | 15172 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 312 | 4 | 0 | 5 | 3.1 | COc1ccc2oc(C(=O)N(C)c3ccc(OC)nc3)cc2c1 | 10.1016/j.bmcl.2010.02.018 | ||
| 44577983 | 185418 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 418 | 6 | 0 | 8 | 4.5 | CCSc1ccc(-c2cnc(-c3nnc(C)n3-c3ccc(OC)nc3)cn2)c(C)c1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467546 | 185418 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 418 | 6 | 0 | 8 | 4.5 | CCSc1ccc(-c2cnc(-c3nnc(C)n3-c3ccc(OC)nc3)cn2)c(C)c1 | 10.1016/j.bmcl.2008.06.098 | ||
| 46881860 | 15043 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 363 | 4 | 0 | 4 | 3.0 | COc1ccc(N(C)C(=O)N2CC(Oc3cc(F)cc(F)c3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL1092498 | 15043 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 363 | 4 | 0 | 4 | 3.0 | COc1ccc(N(C)C(=O)N2CC(Oc3cc(F)cc(F)c3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| 46830096 | 14768 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 362 | 5 | 0 | 5 | 3.8 | CCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1090654 | 14768 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 362 | 5 | 0 | 5 | 3.8 | CCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 46883886 | 15174 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 328 | 7 | 0 | 4 | 3.6 | CCN(C(=O)COc1ccc(C(C)C)cc1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1093342 | 15174 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 328 | 7 | 0 | 4 | 3.6 | CCN(C(=O)COc1ccc(C(C)C)cc1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 53316694 | 63540 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | 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 | 5.6 | pKi | = | 5.6 | 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 | ||
| 53316695 | 63542 | 0 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | 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 | 4.6 | pKi | = | 4.6 | 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 | ||
| 45270760 | 201856 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 390 | 6 | 0 | 9 | 3.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3OC)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL549633 | 201856 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 390 | 6 | 0 | 9 | 3.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3OC)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 15548579 | 118385 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 728 | 11 | 8 | 8 | 1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@H](CCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@H](C)CC)NC1=O | 10.1016/s0960-894x(99)00478-3 | ||
| CHEMBL328348 | 118385 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 728 | 11 | 8 | 8 | 1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@H](CCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@H](C)CC)NC1=O | 10.1016/s0960-894x(99)00478-3 | ||
| 44579399 | 193941 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 368 | 8 | 0 | 7 | 3.6 | CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL492029 | 193941 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 368 | 8 | 0 | 7 | 3.6 | CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.08.066 | ||
| 11574636 | 205889 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 389 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL589125 | 205889 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 389 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 11574636 | 205889 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 389 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL589125 | 205889 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 389 | 5 | 0 | 7 | 3.0 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| 46225079 | 206031 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 395 | 7 | 0 | 8 | 2.8 | COCc1nnc(N2CC[C@@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL590097 | 206031 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 395 | 7 | 0 | 8 | 2.8 | COCc1nnc(N2CC[C@@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46884480 | 15034 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 366 | 5 | 0 | 5 | 3.7 | CCN(C(=O)c1cnc(-c2cccc(F)c2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1092458 | 15034 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 366 | 5 | 0 | 5 | 3.7 | CCN(C(=O)c1cnc(-c2cccc(F)c2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 44577873 | 196224 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | Cc1nc(C(C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL513488 | 196224 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | Cc1nc(C(C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1 | 10.1016/j.bmcl.2008.06.098 | ||
| 44571491 | 190726 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 367 | 6 | 0 | 2 | 4.8 | Cc1cc(F)ccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL481569 | 190726 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 367 | 6 | 0 | 2 | 4.8 | Cc1cc(F)ccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44572003 | 196414 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 369 | 6 | 0 | 2 | 5.0 | O=C(c1ccc(-c2ccccc2Cl)cc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL514975 | 196414 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 369 | 6 | 0 | 2 | 5.0 | O=C(c1ccc(-c2ccccc2Cl)cc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44581241 | 182665 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 495 | 8 | 0 | 6 | 5.2 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3Cl)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL458634 | 182665 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 495 | 8 | 0 | 6 | 5.2 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3Cl)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 11488952 | 84359 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 501 | 7 | 2 | 4 | 4.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc2occc2c1 | 10.1021/jm060073e | ||
| CHEMBL208787 | 84359 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 501 | 7 | 2 | 4 | 4.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc2occc2c1 | 10.1021/jm060073e | ||
| 46225083 | 206626 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 337 | 5 | 0 | 7 | 2.2 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL594361 | 206626 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 337 | 5 | 0 | 7 | 2.2 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 44215484 | 185359 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 440 | 7 | 0 | 6 | 4.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCN1CCOCC1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467154 | 185359 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 440 | 7 | 0 | 6 | 4.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCN1CCOCC1 | 10.1016/j.bmcl.2008.06.098 | ||
| 46225051 | 206215 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 383 | 5 | 0 | 7 | 3.1 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL591310 | 206215 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 383 | 5 | 0 | 7 | 3.1 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccc(F)cc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 44571529 | 196479 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 4.8 | O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL515447 | 196479 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 4.8 | O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 45483204 | 204666 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | 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 | 6.5 | pKi | = | 6.5 | 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 | 6.5 | pKi | = | 6.5 | 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 | 6.5 | pKi | = | 6.5 | 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 | ||
| 44572105 | 179226 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 336 | 6 | 0 | 3 | 3.8 | O=C(c1ccc(-c2ccccc2)nc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL447916 | 179226 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 336 | 6 | 0 | 3 | 3.8 | O=C(c1ccc(-c2ccccc2)nc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44571489 | 199063 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 372 | 6 | 0 | 3 | 4.6 | O=C(c1ccc(-c2ccccc2)nc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL520595 | 199063 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 372 | 6 | 0 | 3 | 4.6 | O=C(c1ccc(-c2ccccc2)nc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 46225117 | 206072 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 401 | 7 | 0 | 8 | 2.7 | COCc1nnc(N2CC(Oc3ccccc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL590349 | 206072 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 401 | 7 | 0 | 8 | 2.7 | COCc1nnc(N2CC(Oc3ccccc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46225050 | 206392 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 365 | 5 | 0 | 7 | 2.9 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592731 | 206392 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 365 | 5 | 0 | 7 | 2.9 | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 16062053 | 201618 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 360 | 5 | 0 | 8 | 3.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL539665 | 201618 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 360 | 5 | 0 | 8 | 3.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 46881890 | 15221 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 377 | 5 | 0 | 4 | 3.4 | CCN(C(=O)N1CC(Oc2cc(F)cc(F)c2C)C1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL1093744 | 15221 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 377 | 5 | 0 | 4 | 3.4 | CCN(C(=O)N1CC(Oc2cc(F)cc(F)c2C)C1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.01.143 | ||
| 45272491 | 203304 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 428 | 5 | 0 | 8 | 4.5 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccc(Cl)cc3Cl)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL563613 | 203304 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 428 | 5 | 0 | 8 | 4.5 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccc(Cl)cc3Cl)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 44572107 | 186709 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 385 | 6 | 0 | 2 | 5.5 | Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL474621 | 186709 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 385 | 6 | 0 | 2 | 5.5 | Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 46884478 | 15262 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 373 | 5 | 0 | 6 | 3.4 | CCN(C(=O)c1cnc(-c2ccc(C#N)cc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1094002 | 15262 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 373 | 5 | 0 | 6 | 3.4 | CCN(C(=O)c1cnc(-c2ccc(C#N)cc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 53317994 | 63541 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | 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 | 5.4 | pKi | = | 5.4 | 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 | ||
| 11384094 | 185362 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 402 | 6 | 0 | 8 | 3.6 | COCc1nnc(-c2cnc(-c3cccc(C)c3C)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467186 | 185362 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 402 | 6 | 0 | 8 | 3.6 | COCc1nnc(-c2cnc(-c3cccc(C)c3C)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 15548579 | 118385 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 728 | 11 | 8 | 8 | 1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@H](CCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@H](C)CC)NC1=O | 10.1016/s0960-894x(99)00478-3 | ||
| CHEMBL328348 | 118385 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 728 | 11 | 8 | 8 | 1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@H](CCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@H](C)CC)NC1=O | 10.1016/s0960-894x(99)00478-3 | ||
| 11538526 | 206352 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 397 | 5 | 0 | 7 | 3.5 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccc(F)cc3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592494 | 206352 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 397 | 5 | 0 | 7 | 3.5 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccc(F)cc3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46225118 | 207831 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)ccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL602641 | 207831 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)ccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46883829 | 15225 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 336 | 5 | 1 | 4 | 3.5 | CCN(C(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1093776 | 15225 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 336 | 5 | 1 | 4 | 3.5 | CCN(C(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 46881892 | 14927 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 387 | 5 | 0 | 7 | 2.8 | COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)cc(F)c3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL1091817 | 14927 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 387 | 5 | 0 | 7 | 2.8 | COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)cc(F)c3C)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| 44577938 | 196085 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 374 | 6 | 0 | 8 | 2.9 | COCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL512257 | 196085 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 374 | 6 | 0 | 8 | 2.9 | COCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 46844644 | 15270 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 359 | 5 | 0 | 4 | 3.2 | CCN(C(=O)N1CC(Oc2ccc(F)cc2C)C1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL1094050 | 15270 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 359 | 5 | 0 | 4 | 3.2 | CCN(C(=O)N1CC(Oc2ccc(F)cc2C)C1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.01.143 | ||
| 46884479 | 15033 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 7 | 0 | 7 | 3.0 | COCCN(C(=O)c1cnc(-c2ccc(C#N)cc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1092457 | 15033 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 7 | 0 | 7 | 3.0 | COCCN(C(=O)c1cnc(-c2ccc(C#N)cc2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 44579442 | 193607 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 391 | 7 | 0 | 9 | 2.7 | CCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL489387 | 193607 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 391 | 7 | 0 | 9 | 2.7 | CCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| 46883887 | 14543 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 336 | 6 | 0 | 4 | 3.7 | CCN(C(=O)COc1ccc2ccccc2c1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1089272 | 14543 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 336 | 6 | 0 | 4 | 3.7 | CCN(C(=O)COc1ccc2ccccc2c1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 46881891 | 15268 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 379 | 5 | 0 | 4 | 3.6 | CCN(C(=O)N1CC(Oc2ccc(F)cc2Cl)C1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL1094049 | 15268 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 379 | 5 | 0 | 4 | 3.6 | CCN(C(=O)N1CC(Oc2ccc(F)cc2Cl)C1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.01.143 | ||
| 11625088 | 206351 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 379 | 5 | 0 | 7 | 3.3 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL592493 | 206351 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 379 | 5 | 0 | 7 | 3.3 | COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3C)CC2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46225081 | 209008 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 431 | 7 | 0 | 8 | 3.1 | COCc1nnc(N2CC[C@@H](Oc3cc(F)cc(F)c3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL609848 | 209008 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 431 | 7 | 0 | 8 | 3.1 | COCc1nnc(N2CC[C@@H](Oc3cc(F)cc(F)c3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 44186995 | 201928 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 388 | 5 | 0 | 8 | 3.8 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3c(C)cccc3C)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL550244 | 201928 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 388 | 5 | 0 | 8 | 3.8 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3c(C)cccc3C)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 44577874 | 185358 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 376 | 4 | 0 | 6 | 3.6 | CO/N=C1/C[C@H](c2ncno2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467153 | 185358 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 376 | 4 | 0 | 6 | 3.6 | CO/N=C1/C[C@H](c2ncno2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 | 10.1016/j.bmcl.2008.06.098 | ||
| 4017619 | 187182 | 23 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 335 | 6 | 0 | 2 | 4.4 | O=C(c1ccc(-c2ccccc2)cc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL475207 | 187182 | 23 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 335 | 6 | 0 | 2 | 4.4 | O=C(c1ccc(-c2ccccc2)cc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 50941635 | 63539 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | 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 | 5.3 | pKi | = | 5.3 | 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 | ||
| 53324622 | 63546 | 0 | None | - | 0 | Human | 4.3 | pKi | = | 4.3 | 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 | 4.3 | pKi | = | 4.3 | 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 | ||
| 45269934 | 202075 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 388 | 6 | 0 | 8 | 3.8 | CCc1ccccc1Oc1cnc(-c2nnc(C)n2-c2ccc(OC)nc2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL551395 | 202075 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 388 | 6 | 0 | 8 | 3.8 | CCc1ccccc1Oc1cnc(-c2nnc(C)n2-c2ccc(OC)nc2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 44577984 | 196054 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 418 | 7 | 0 | 9 | 3.3 | COCc1nnc(-c2cnc(-c3ccc(OC)c(C)c3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL511917 | 196054 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 418 | 7 | 0 | 9 | 3.3 | COCc1nnc(-c2cnc(-c3ccc(OC)c(C)c3)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 46225116 | 206032 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 371 | 5 | 0 | 7 | 2.9 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3Cl)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL590099 | 206032 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 371 | 5 | 0 | 7 | 2.9 | COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3Cl)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 44577936 | 185360 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 371 | 5 | 0 | 5 | 4.9 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467184 | 185360 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 371 | 5 | 0 | 5 | 4.9 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 11257380 | 185393 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL467378 | 185393 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 11257380 | 185393 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467378 | 185393 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2008.06.098 | ||
| 11257380 | 185393 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL467378 | 185393 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 135461089 | 193846 | 6 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 478 | 8 | 2 | 6 | 2.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1 | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL491224 | 193846 | 6 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 478 | 8 | 2 | 6 | 2.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1 | 10.1016/j.bmcl.2008.08.066 | ||
| 44581240 | 196503 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 486 | 8 | 0 | 7 | 4.4 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C#N)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL515660 | 196503 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 486 | 8 | 0 | 7 | 4.4 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C#N)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 46884441 | 15177 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 359 | 4 | 0 | 6 | 3.0 | COc1ccc(N(C)C(=O)c2cnc(-c3ccc(C#N)cc3C)cn2)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1093367 | 15177 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 359 | 4 | 0 | 6 | 3.0 | COc1ccc(N(C)C(=O)c2cnc(-c3ccc(C#N)cc3C)cn2)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| 44571387 | 190843 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 401 | 7 | 0 | 3 | 5.2 | COc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL482321 | 190843 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 401 | 7 | 0 | 3 | 5.2 | COc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44572045 | 196430 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 365 | 7 | 0 | 3 | 4.4 | COc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL515111 | 196430 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 365 | 7 | 0 | 3 | 4.4 | COc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44572046 | 186374 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 413 | 7 | 0 | 4 | 3.8 | CS(=O)(=O)c1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL474219 | 186374 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 413 | 7 | 0 | 4 | 3.8 | CS(=O)(=O)c1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44571388 | 199368 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 385 | 6 | 0 | 2 | 5.5 | Cc1cc(-c2ccccc2)ccc1C(=O)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL521444 | 199368 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 385 | 6 | 0 | 2 | 5.5 | Cc1cc(-c2ccccc2)ccc1C(=O)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44571530 | 186695 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 379 | 7 | 0 | 3 | 4.7 | COc1ccc(C)cc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL474609 | 186695 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 379 | 7 | 0 | 3 | 4.7 | COc1ccc(C)cc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44571490 | 190725 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 415 | 7 | 0 | 3 | 5.5 | COc1ccc(C)cc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL481568 | 190725 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 415 | 7 | 0 | 3 | 5.5 | COc1ccc(C)cc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 53323297 | 63543 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | 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 | 5.2 | pKi | = | 5.2 | 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 | ||
| 53323298 | 63544 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | 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 | 5.2 | pKi | = | 5.2 | 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 | ||
| 46881862 | 14710 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 3.2 | COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| CHEMBL1090417 | 14710 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 3.2 | COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1016/j.bmcl.2010.01.143 | ||
| 44572103 | 186104 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 369 | 6 | 0 | 2 | 5.0 | O=C(c1ccc(-c2cccc(Cl)c2)cc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL473442 | 186104 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 369 | 6 | 0 | 2 | 5.0 | O=C(c1ccc(-c2cccc(Cl)c2)cc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44581266 | 182174 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3F)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL457544 | 182174 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3F)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44572104 | 186105 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 369 | 6 | 0 | 2 | 5.0 | O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL473443 | 186105 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 369 | 6 | 0 | 2 | 5.0 | O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N(CC1CC1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 44571429 | 190594 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 5.6 | O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL480546 | 190594 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 5.6 | O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)CC1CCCO1 | 10.1016/j.bmcl.2008.11.064 | ||
| 10437668 | 85655 | 1 | None | - | 3 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL2112903 | 85655 | 1 | None | - | 3 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1016/j.bmcl.2008.06.098 | ||
| 45268191 | 203526 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 430 | 5 | 0 | 8 | 4.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3c(F)ccc(F)c3Cl)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL565189 | 203526 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 430 | 5 | 0 | 8 | 4.2 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3c(F)ccc(F)c3Cl)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 46883925 | 15217 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 379 | 6 | 1 | 5 | 3.1 | CCN(C(=O)c1ccc(-c2ccc(OC)cc2)[nH]c1=O)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1093709 | 15217 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 379 | 6 | 1 | 5 | 3.1 | CCN(C(=O)c1ccc(-c2ccc(OC)cc2)[nH]c1=O)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 44577981 | 196070 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 369 | 5 | 0 | 8 | 2.8 | COCc1nnc(-c2cnc(-c3cccc(C#N)c3)cn2)n1-c1cccnc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL512105 | 196070 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 369 | 5 | 0 | 8 | 2.8 | COCc1nnc(-c2cnc(-c3cccc(C#N)c3)cn2)n1-c1cccnc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 46883830 | 14464 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 336 | 5 | 0 | 5 | 3.3 | CCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1088765 | 14464 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 336 | 5 | 0 | 5 | 3.3 | CCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 46883885 | 15173 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 326 | 5 | 0 | 5 | 3.5 | CCN(C(=O)c1cc2cc(OC)ccc2o1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1093341 | 15173 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 326 | 5 | 0 | 5 | 3.5 | CCN(C(=O)c1cc2cc(OC)ccc2o1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 45273367 | 203331 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 392 | 5 | 0 | 8 | 3.7 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| CHEMBL563771 | 203331 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 392 | 5 | 0 | 8 | 3.7 | COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccc(F)cc3C)cn2)cn1 | 10.1016/j.bmcl.2009.03.160 | ||
| 11683187 | 206711 | 44 | None | 20 | 2 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL594828 | 206711 | 44 | None | 20 | 2 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46884413 | 14968 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.0 | COc1ccc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1092098 | 14968 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.0 | COc1ccc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| 46883832 | 14466 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 366 | 6 | 0 | 6 | 3.3 | CCN(C(=O)c1cnn(-c2ccc(OC)cc2)c1C)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1088767 | 14466 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 366 | 6 | 0 | 6 | 3.3 | CCN(C(=O)c1cnn(-c2ccc(OC)cc2)c1C)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 46884414 | 14610 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 334 | 4 | 0 | 5 | 3.1 | COc1ccc(N(C)C(=O)c2cnc(-c3ccccc3C)cn2)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1089682 | 14610 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 334 | 4 | 0 | 5 | 3.1 | COc1ccc(N(C)C(=O)c2cnc(-c3ccccc3C)cn2)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| 46883888 | 14911 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 349 | 5 | 1 | 4 | 3.1 | CCN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1091770 | 14911 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 349 | 5 | 1 | 4 | 3.1 | CCN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 46883831 | 14465 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 366 | 7 | 0 | 6 | 2.9 | COCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1088766 | 14465 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 366 | 7 | 0 | 6 | 2.9 | COCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 11169 | 7584 | 37 | None | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| 131676677 | 7584 | 37 | None | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| 165708555 | 7584 | 37 | None | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| 16681432 | 7584 | 37 | None | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| 495 | 7584 | 37 | None | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| CHEMBL3301668 | 7584 | 37 | None | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| DB01282 | 7584 | 37 | None | -10 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| 11169 | 7584 | 37 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| 131676677 | 7584 | 37 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| 165708555 | 7584 | 37 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| 16681432 | 7584 | 37 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| 495 | 7584 | 37 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| CHEMBL3301668 | 7584 | 37 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| DB01282 | 7584 | 37 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 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 | 30199637 | ||||
| 2255 | 9386 | 0 | None | - | 1 | Human | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 17316912 | ||||
| 2256 | 9387 | 0 | None | - | 1 | Human | 7.3 | pIC50 | None | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 17316912 | ||||
| 2254 | 9388 | 0 | None | - | 1 | Human | 7.6 | pIC50 | None | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 17316912 | ||||
| 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 |
| 118719819 | 122521 | 0 | None | - | 0 | Human | 11.0 | pEC50 | = | 11 | 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 | 11.0 | pEC50 | = | 11 | 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 | ||
| 118719821 | 122523 | 0 | None | - | 0 | Human | 11.0 | pEC50 | = | 11 | 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 | 11.0 | pEC50 | = | 11 | 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 | ||
| 118719828 | 122530 | 0 | None | - | 0 | Human | 11.0 | pEC50 | = | 11 | 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 | 11.0 | pEC50 | = | 11 | 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 | ||
| 118719829 | 122531 | 0 | None | - | 0 | Human | 11.0 | pEC50 | = | 11 | 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 | 11.0 | pEC50 | = | 11 | 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 | ||
| 118719835 | 122537 | 0 | None | - | 0 | Human | 11.0 | pEC50 | = | 11 | 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 | 11.0 | pEC50 | = | 11 | 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 | ||
| 118719837 | 122539 | 0 | None | - | 0 | Human | 11.0 | pEC50 | = | 11 | 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 | 11.0 | pEC50 | = | 11 | 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 | ||
| 118719845 | 122547 | 0 | None | - | 0 | Human | 11.0 | pEC50 | = | 11 | 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 | 11.0 | pEC50 | = | 11 | 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 | ||
| 118720268 | 122619 | 0 | None | - | 1 | Human | 11.0 | pEC50 | = | 11 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354579 | 122619 | 0 | None | - | 1 | Human | 11.0 | pEC50 | = | 11 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 155560248 | 181825 | 0 | None | - | 0 | Human | 11.0 | pEC50 | = | 11.0 | Binding | ChEMBL | 2235 | 53 | 24 | 30 | -2.9 | 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](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4567752 | 181825 | 0 | None | - | 0 | Human | 11.0 | pEC50 | = | 11.0 | Binding | ChEMBL | 2235 | 53 | 24 | 30 | -2.9 | 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](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155542264 | 179873 | 0 | None | - | 0 | Human | 10.9 | pEC50 | = | 10.9 | Binding | ChEMBL | 2151 | 47 | 24 | 30 | -5.3 | 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](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4520170 | 179873 | 0 | None | - | 0 | Human | 10.9 | pEC50 | = | 10.9 | Binding | ChEMBL | 2151 | 47 | 24 | 30 | -5.3 | 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](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 118719844 | 122546 | 0 | None | - | 0 | Human | 10.7 | pEC50 | = | 10.7 | 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 | 10.7 | pEC50 | = | 10.7 | 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 | ||
| 118720260 | 122611 | 0 | None | - | 0 | Human | 10.7 | pEC50 | = | 10.7 | 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 | 10.7 | pEC50 | = | 10.7 | 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 | ||
| 118720282 | 122632 | 0 | None | - | 0 | Human | 10.7 | pEC50 | = | 10.7 | 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 | 10.7 | pEC50 | = | 10.7 | 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 | ||
| 118719831 | 122533 | 0 | None | - | 0 | Human | 10.5 | pEC50 | = | 10.5 | 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 | 10.5 | pEC50 | = | 10.5 | 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 | ||
| 118720278 | 122628 | 0 | None | - | 0 | Human | 10.4 | pEC50 | = | 10.4 | 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 | 10.4 | pEC50 | = | 10.4 | 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 | ||
| 118720284 | 122635 | 0 | None | - | 0 | Human | 10.4 | pEC50 | = | 10.4 | 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 | 10.4 | pEC50 | = | 10.4 | 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 | ||
| 44232512 | 122637 | 0 | None | - | 0 | Human | 10.4 | pEC50 | = | 10.4 | 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 | 10.4 | pEC50 | = | 10.4 | 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 | ||
| 118719818 | 122520 | 0 | None | - | 0 | Human | 10.3 | pEC50 | = | 10.3 | 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 | 10.3 | pEC50 | = | 10.3 | 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 | ||
| 118720279 | 122629 | 0 | None | - | 0 | Human | 10.3 | pEC50 | = | 10.3 | 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 | 10.3 | pEC50 | = | 10.3 | 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 | ||
| 118720286 | 122638 | 0 | None | - | 0 | Human | 10.3 | pEC50 | = | 10.3 | 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 | 10.3 | pEC50 | = | 10.3 | 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 | ||
| CHEMBL5286119 | 201112 | 0 | None | - | 0 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 1221 | 21 | 18 | 21 | -9.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acsmedchemlett.2c00455 | ||
| 118719820 | 122522 | 0 | None | - | 0 | Human | 10.2 | pEC50 | = | 10.2 | 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 | 10.2 | pEC50 | = | 10.2 | 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 | ||
| 118719824 | 122526 | 0 | None | - | 0 | Human | 10.2 | pEC50 | = | 10.2 | 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 | 10.2 | pEC50 | = | 10.2 | 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 | ||
| 118719838 | 122540 | 0 | None | - | 0 | Human | 10.2 | pEC50 | = | 10.2 | 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 | 10.2 | pEC50 | = | 10.2 | 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 | ||
| 118720261 | 122612 | 0 | None | - | 0 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 1035 | 20 | 11 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC2CCCO2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354572 | 122612 | 0 | None | - | 0 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 1035 | 20 | 11 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC2CCCO2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720277 | 122627 | 0 | None | - | 0 | Human | 10.2 | pEC50 | = | 10.2 | 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 | 10.2 | pEC50 | = | 10.2 | 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 | ||
| 118720281 | 122631 | 0 | None | - | 0 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 10.1 | pEC50 | = | 10.1 | 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 | ||
| 76073634 | 122634 | 3 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 10.1 | pEC50 | = | 10.1 | 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 | ||
| 118720274 | 122624 | 0 | None | - | 0 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 974 | 21 | 10 | 12 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354584 | 122624 | 0 | None | - | 0 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 974 | 21 | 10 | 12 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118720288 | 122640 | 0 | None | - | 0 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 10.1 | pEC50 | = | 10.1 | 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 | ||
| 449224 | 175754 | 12 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | 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 | 10.0 | pEC50 | = | 10 | 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 | ||
| 118719833 | 122535 | 0 | None | - | 0 | Human | 10.0 | pEC50 | = | 10.0 | 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 | 10.0 | pEC50 | = | 10.0 | 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 | ||
| 118720259 | 122610 | 0 | None | - | 0 | Human | 10.0 | pEC50 | = | 10.0 | 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 | 10.0 | pEC50 | = | 10.0 | 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 | ||
| 118720264 | 122615 | 0 | None | - | 0 | Human | 10.0 | pEC50 | = | 10.0 | 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 | 10.0 | pEC50 | = | 10.0 | 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 | ||
| 118720275 | 122625 | 0 | None | - | 0 | Human | 10.0 | pEC50 | = | 10.0 | 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 | 10.0 | pEC50 | = | 10.0 | 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 | ||
| 118719834 | 122536 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)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 | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719842 | 122544 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | 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 | 9.9 | pEC50 | = | 9.9 | 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 | ||
| 118719843 | 122545 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | 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 | 9.9 | pEC50 | = | 9.9 | 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 | ||
| 118720271 | 122621 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | 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 | 9.9 | pEC50 | = | 9.9 | 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 | ||
| 118719827 | 122529 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | 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 | 9.9 | pEC50 | = | 9.9 | 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 | ||
| 118720269 | 122620 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354580 | 122620 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720272 | 122622 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | 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 | 9.9 | pEC50 | = | 9.9 | 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 | ||
| 118720289 | 122641 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | 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 | 9.9 | pEC50 | = | 9.9 | 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 | ||
| 118719836 | 122538 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | 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 | 9.8 | pEC50 | = | 9.8 | 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 | ||
| 118720265 | 122616 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | 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 | 9.8 | pEC50 | = | 9.8 | 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 | ||
| 118719825 | 122527 | 0 | None | - | 0 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 1032 | 20 | 10 | 14 | -2.5 | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](OC)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm500365s | ||
| CHEMBL3353936 | 122527 | 0 | None | - | 0 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 1032 | 20 | 10 | 14 | -2.5 | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](OC)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm500365s | ||
| 118720273 | 122623 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 974 | 21 | 10 | 12 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354583 | 122623 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 974 | 21 | 10 | 12 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118720285 | 122636 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | 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 | 9.6 | pEC50 | = | 9.6 | 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 | ||
| 118720276 | 122626 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | 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 | 9.6 | pEC50 | = | 9.6 | 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 | ||
| 155559767 | 181672 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4564152 | 181672 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL5280014 | 200827 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 1150 | 19 | 17 | 20 | -8.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C(=O)N[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acsmedchemlett.2c00455 | ||
| 118720290 | 122642 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | 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 | 9.5 | pEC50 | = | 9.5 | 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 | ||
| 118719826 | 122528 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 947 | 19 | 11 | 13 | -3.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353937 | 122528 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 947 | 19 | 11 | 13 | -3.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719832 | 122534 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 1009 | 21 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353943 | 122534 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 1009 | 21 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720280 | 122630 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | 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 | 9.4 | pEC50 | = | 9.4 | 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 | ||
| 118719841 | 122543 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | 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 | 9.3 | pEC50 | = | 9.3 | 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 | ||
| CHEMBL5273426 | 200541 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 1340 | 24 | 20 | 25 | -10.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acsmedchemlett.2c00455 | ||
| 118720283 | 122633 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 1022 | 20 | 10 | 12 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354593 | 122633 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 1022 | 20 | 10 | 12 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 11169 | 7584 | 37 | None | 1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| 131676677 | 7584 | 37 | None | 1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| 165708555 | 7584 | 37 | None | 1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| 16681432 | 7584 | 37 | None | 1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| 495 | 7584 | 37 | None | 1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| CHEMBL3301668 | 7584 | 37 | None | 1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| DB01282 | 7584 | 37 | None | 1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| CHEMBL5275543 | 200639 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 1192 | 21 | 17 | 20 | -7.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acsmedchemlett.2c00455 | ||
| 155559767 | 181672 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4564152 | 181672 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 118720287 | 122639 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | 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 | 9.1 | pEC50 | = | 9.1 | 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 | ||
| 118719823 | 122525 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 1033 | 19 | 10 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](SC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353934 | 122525 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 1033 | 19 | 10 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](SC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720267 | 122618 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 975 | 21 | 10 | 13 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354578 | 122618 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 975 | 21 | 10 | 13 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720270 | 122292 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 975 | 21 | 11 | 13 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3352839 | 122292 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 975 | 21 | 11 | 13 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 155559767 | 181672 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4564152 | 181672 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 118720266 | 122617 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 975 | 21 | 10 | 13 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)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 | ||
| CHEMBL3354577 | 122617 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 975 | 21 | 10 | 13 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)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 | ||
| 118719822 | 122524 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 1017 | 19 | 10 | 14 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](OC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353933 | 122524 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 1017 | 19 | 10 | 14 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](OC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01862 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01862 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01862 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01862 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01862 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01862 | ||||
| 118719830 | 122532 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 1033 | 19 | 11 | 14 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353941 | 122532 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 1033 | 19 | 11 | 14 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719839 | 122541 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | 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)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 | 8.9 | pEC50 | = | 8.9 | 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)Cc2ccccn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719840 | 122542 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | 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 | 8.9 | pEC50 | = | 8.9 | 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 | ||
| 118720263 | 122614 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 1064 | 21 | 11 | 16 | -3.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCN2CCOCC2)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 | ||
| CHEMBL3354574 | 122614 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 1064 | 21 | 11 | 16 | -3.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCN2CCOCC2)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 | ||
| 155515303 | 176770 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1336 | 41 | 13 | 18 | -0.7 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CSC[C@H](NC(=O)CNC(=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)C(=O)N(C)CC(N)=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4442222 | 176770 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1336 | 41 | 13 | 18 | -0.7 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CSC[C@H](NC(=O)CNC(=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)C(=O)N(C)CC(N)=O | 10.1021/acs.jmedchem.9b01862 | ||
| 155551252 | 180722 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 2179 | 49 | 24 | 30 | -4.5 | 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](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4541104 | 180722 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 2179 | 49 | 24 | 30 | -4.5 | 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](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155553462 | 180910 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 2123 | 45 | 24 | 30 | -6.0 | 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](CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4546103 | 180910 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 2123 | 45 | 24 | 30 | -6.0 | 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](CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 2181 | 8113 | 42 | None | -23 | 7 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 2182 | 8113 | 42 | None | -23 | 7 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 27991 | 8113 | 42 | None | -23 | 7 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 5311065 | 8113 | 42 | None | -23 | 7 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| CHEMBL1429 | 8113 | 42 | None | -23 | 7 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| CHEMBL264448 | 8113 | 42 | None | -23 | 7 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| DB00035 | 8113 | 42 | None | -23 | 7 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 155542264 | 179873 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 2151 | 47 | 24 | 30 | -5.3 | 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](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4520170 | 179873 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 2151 | 47 | 24 | 30 | -5.3 | 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](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 3537 | 10776 | 22 | None | -3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| 5311500 | 10776 | 22 | None | -3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| CHEMBL363910 | 10776 | 22 | None | -3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| 155551252 | 180722 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 2179 | 49 | 24 | 30 | -4.5 | 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](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4541104 | 180722 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 2179 | 49 | 24 | 30 | -4.5 | 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](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155542151 | 179875 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 2207 | 51 | 24 | 30 | -3.7 | 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](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4520203 | 179875 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 2207 | 51 | 24 | 30 | -3.7 | 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](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155542151 | 179875 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 2207 | 51 | 24 | 30 | -3.7 | 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](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4520203 | 179875 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 2207 | 51 | 24 | 30 | -3.7 | 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](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155555256 | 181110 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 1005 | 18 | 11 | 14 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[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](CSCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4550811 | 181110 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 1005 | 18 | 11 | 14 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[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](CSCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| 118476348 | 180301 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 6.9 | pEC50 | = | 6.9 | 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 | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 155560248 | 181825 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 2235 | 53 | 24 | 30 | -2.9 | 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](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4567752 | 181825 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 2235 | 53 | 24 | 30 | -2.9 | 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](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 44393941 | 177627 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 595 | 8 | 2 | 6 | 4.4 | CO[C@@H]1C[C@@H](C(=O)NCCc2ccccn2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL445393 | 177627 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 595 | 8 | 2 | 6 | 4.4 | CO[C@@H]1C[C@@H](C(=O)NCCc2ccccn2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 53317550 | 63113 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1026 | 17 | 12 | 14 | -3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CS[Se]C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL1630523 | 63113 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1026 | 17 | 12 | 14 | -3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CS[Se]C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL5279634 | 200811 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1397 | 26 | 21 | 26 | -11.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acsmedchemlett.2c00455 | ||
| 155523986 | 177689 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | 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 | 6.8 | pEC50 | = | 6.8 | 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 | ||
| 155551252 | 180722 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 2179 | 49 | 24 | 30 | -4.5 | 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](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4541104 | 180722 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 2179 | 49 | 24 | 30 | -4.5 | 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](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155552392 | 180931 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1452 | 49 | 15 | 20 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4546597 | 180931 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1452 | 49 | 15 | 20 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| 53320505 | 63114 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 1074 | 17 | 12 | 13 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Se][Se]C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL1630524 | 63114 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 1074 | 17 | 12 | 13 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Se][Se]C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| 155553492 | 180911 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1322 | 41 | 14 | 18 | -1.0 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CSC[C@H](NC(=O)CNC(=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)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4546106 | 180911 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1322 | 41 | 14 | 18 | -1.0 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CSC[C@H](NC(=O)CNC(=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)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.9b01862 | ||
| 155542151 | 179875 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 2207 | 51 | 24 | 30 | -3.7 | 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](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4520203 | 179875 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 2207 | 51 | 24 | 30 | -3.7 | 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](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 118720262 | 122613 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1048 | 21 | 12 | 15 | -2.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCC2CCCN2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354573 | 122613 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1048 | 21 | 12 | 15 | -2.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCC2CCCN2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 155542264 | 179873 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2151 | 47 | 24 | 30 | -5.3 | 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](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4520170 | 179873 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2151 | 47 | 24 | 30 | -5.3 | 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](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155548766 | 180544 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1724 | 62 | 18 | 24 | -0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4537162 | 180544 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1724 | 62 | 18 | 24 | -0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00564 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00564 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00564 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00564 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00564 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00564 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01862 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01862 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01862 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01862 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01862 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01862 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.2c00455 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 155548766 | 180544 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1724 | 62 | 18 | 24 | -0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4537162 | 180544 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1724 | 62 | 18 | 24 | -0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| 53316559 | 63112 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1026 | 17 | 12 | 14 | -3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Se]SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL1630522 | 63112 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1026 | 17 | 12 | 14 | -3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Se]SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| 155559767 | 181672 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4564152 | 181672 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 11169 | 7584 | 37 | None | 1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.9b01862 | ||||
| 131676677 | 7584 | 37 | None | 1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.9b01862 | ||||
| 165708555 | 7584 | 37 | None | 1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.9b01862 | ||||
| 16681432 | 7584 | 37 | None | 1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.9b01862 | ||||
| 495 | 7584 | 37 | None | 1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.9b01862 | ||||
| CHEMBL3301668 | 7584 | 37 | None | 1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.9b01862 | ||||
| DB01282 | 7584 | 37 | None | 1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.9b01862 | ||||
| 155542151 | 179875 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2207 | 51 | 24 | 30 | -3.7 | 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](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4520203 | 179875 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2207 | 51 | 24 | 30 | -3.7 | 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](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155551252 | 180722 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2179 | 49 | 24 | 30 | -4.5 | 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](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4541104 | 180722 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2179 | 49 | 24 | 30 | -4.5 | 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](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155553462 | 180910 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2123 | 45 | 24 | 30 | -6.0 | 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](CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4546103 | 180910 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2123 | 45 | 24 | 30 | -6.0 | 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](CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL5271164 | 200452 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1164 | 19 | 17 | 20 | -8.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C(=O)N[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acsmedchemlett.2c00455 | ||
| 44394045 | 176282 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 641 | 6 | 1 | 6 | 5.2 | CO[C@@H]1C[C@@H](C(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL443300 | 176282 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 641 | 6 | 1 | 6 | 5.2 | CO[C@@H]1C[C@@H](C(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 118476338 | 180170 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 6.6 | pEC50 | = | 6.6 | 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 | ||
| 10282736 | 130593 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 627 | 6 | 1 | 6 | 4.8 | CO[C@@H]1C[C@@H](C(=O)N2CCC(N3CCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL362382 | 130593 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 627 | 6 | 1 | 6 | 4.8 | CO[C@@H]1C[C@@H](C(=O)N2CCC(N3CCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 155553462 | 180910 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 2123 | 45 | 24 | 30 | -6.0 | 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](CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4546103 | 180910 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 2123 | 45 | 24 | 30 | -6.0 | 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](CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 53319051 | 63115 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1174 | 17 | 12 | 13 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Te][Te]C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL1630525 | 63115 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1174 | 17 | 12 | 13 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Te][Te]C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| 44393965 | 132980 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 587 | 5 | 1 | 6 | 3.8 | CO[C@@H]1C[C@@H](C(=O)N2CCCN(C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL364994 | 132980 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 587 | 5 | 1 | 6 | 3.8 | CO[C@@H]1C[C@@H](C(=O)N2CCCN(C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 155560248 | 181825 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 2235 | 53 | 24 | 30 | -2.9 | 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](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4567752 | 181825 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 2235 | 53 | 24 | 30 | -2.9 | 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](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155552392 | 180931 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 1452 | 49 | 15 | 20 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4546597 | 180931 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 1452 | 49 | 15 | 20 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| 155560248 | 181825 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 2235 | 53 | 24 | 30 | -2.9 | 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](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4567752 | 181825 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 2235 | 53 | 24 | 30 | -2.9 | 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](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 73346893 | 96129 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 989 | 17 | 12 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL2369425 | 96129 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 989 | 17 | 12 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| 135413563 | 129708 | 25 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| CHEMBL360648 | 129708 | 25 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| 135413563 | 129708 | 25 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL360648 | 129708 | 25 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1016/j.bmcl.2004.04.107 | ||
| 155559767 | 181672 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4564152 | 181672 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155542264 | 179873 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 2151 | 47 | 24 | 30 | -5.3 | 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](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4520170 | 179873 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 2151 | 47 | 24 | 30 | -5.3 | 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](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 44419026 | 175278 | 17 | None | - | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL435323 | 175278 | 17 | None | - | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 155542151 | 179875 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 2207 | 51 | 24 | 30 | -3.7 | 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](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4520203 | 179875 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 2207 | 51 | 24 | 30 | -3.7 | 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](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL5281925 | 200916 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 985 | 17 | 13 | 14 | -5.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CC(=O)NC[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/acsmedchemlett.2c00455 | ||
| 155559767 | 181672 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4564152 | 181672 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155547725 | 180346 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1133 | 26 | 12 | 15 | -0.9 | CCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=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)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4532537 | 180346 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1133 | 26 | 12 | 15 | -0.9 | CCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=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)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.6b00564 | ||
| 2252 | 9011 | 48 | None | -1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901084f | ||
| 6918320 | 9011 | 48 | None | -1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901084f | ||
| CHEMBL24781 | 9011 | 48 | None | -1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901084f | ||
| 155527834 | 178068 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1020 | 19 | 12 | 15 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CSCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4460622 | 178068 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1020 | 19 | 12 | 15 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CSCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| 155542264 | 179873 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 2151 | 47 | 24 | 30 | -5.3 | 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](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4520170 | 179873 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 2151 | 47 | 24 | 30 | -5.3 | 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](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 155551252 | 180722 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 2179 | 49 | 24 | 30 | -4.5 | 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](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4541104 | 180722 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 2179 | 49 | 24 | 30 | -4.5 | 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](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 44394044 | 130613 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 603 | 5 | 1 | 6 | 4.6 | CO[C@@H]1C[C@@H](C(=S)N2CCCN(C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL362483 | 130613 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 603 | 5 | 1 | 6 | 4.6 | CO[C@@H]1C[C@@H](C(=S)N2CCCN(C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 155524463 | 177793 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1738 | 62 | 17 | 24 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4456573 | 177793 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1738 | 62 | 17 | 24 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| 44393911 | 72000 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 611 | 8 | 2 | 6 | 5.7 | CO[C@@H]1C[C@@H](/C(S)=N/CCc2ccccn2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL182627 | 72000 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 611 | 8 | 2 | 6 | 5.7 | CO[C@@H]1C[C@@H](/C(S)=N/CCc2ccccn2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 44393912 | 71329 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 643 | 6 | 1 | 6 | 5.6 | CO[C@@H]1C[C@@H](C(=S)N2CCC(N3CCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL181487 | 71329 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 643 | 6 | 1 | 6 | 5.6 | CO[C@@H]1C[C@@H](C(=S)N2CCC(N3CCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 155553492 | 180911 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1322 | 41 | 14 | 18 | -1.0 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CSC[C@H](NC(=O)CNC(=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)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4546106 | 180911 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1322 | 41 | 14 | 18 | -1.0 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CSC[C@H](NC(=O)CNC(=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)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.9b01862 | ||
| 155529697 | 178222 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1362 | 40 | 13 | 18 | -0.2 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CSC[C@H](NC(=O)[C@@H]1CCCN1C(=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)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4463103 | 178222 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1362 | 40 | 13 | 18 | -0.2 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CSC[C@H](NC(=O)[C@@H]1CCCN1C(=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)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.9b01862 | ||
| 155558494 | 181518 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1466 | 49 | 14 | 20 | -0.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4560445 | 181518 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1466 | 49 | 14 | 20 | -0.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| 155515303 | 176770 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1336 | 41 | 13 | 18 | -0.7 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CSC[C@H](NC(=O)CNC(=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)C(=O)N(C)CC(N)=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4442222 | 176770 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1336 | 41 | 13 | 18 | -0.7 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CSC[C@H](NC(=O)CNC(=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)C(=O)N(C)CC(N)=O | 10.1021/acs.jmedchem.9b01862 | ||
| 155560248 | 181825 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 2235 | 53 | 24 | 30 | -2.9 | 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](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4567752 | 181825 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 2235 | 53 | 24 | 30 | -2.9 | 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](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 10411308 | 208013 | 0 | None | -39 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| CHEMBL603708 | 208013 | 0 | None | -39 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| 10187625 | 134068 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 553 | 4 | 1 | 5 | 4.7 | Cc1cc(C(=O)N2CCCCc3sccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL365862 | 134068 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 553 | 4 | 1 | 5 | 4.7 | Cc1cc(C(=O)N2CCCCc3sccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1016/j.bmcl.2004.04.107 | ||
| 155524463 | 177793 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1738 | 62 | 17 | 24 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4456573 | 177793 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1738 | 62 | 17 | 24 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| 155542264 | 179873 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 2151 | 47 | 24 | 30 | -5.3 | 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](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4520170 | 179873 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 2151 | 47 | 24 | 30 | -5.3 | 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](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL5266871 | 200277 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 1000 | 17 | 13 | 14 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCC(=O)NC[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/acsmedchemlett.2c00455 | ||
| 2181 | 8113 | 42 | None | -23 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2182 | 8113 | 42 | None | -23 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 27991 | 8113 | 42 | None | -23 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 5311065 | 8113 | 42 | None | -23 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL1429 | 8113 | 42 | None | -23 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL264448 | 8113 | 42 | None | -23 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00035 | 8113 | 42 | None | -23 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 155559767 | 181672 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4564152 | 181672 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1006 | 19 | 12 | 15 | -3.5 | 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](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 44394063 | 73135 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 573 | 4 | 1 | 5 | 5.0 | CN1CCCN(C(=S)[C@@H]2CCCN2C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)CC1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL185152 | 73135 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 573 | 4 | 1 | 5 | 5.0 | CN1CCCN(C(=S)[C@@H]2CCCN2C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)CC1 | 10.1016/j.bmcl.2004.04.107 | ||
| 155558494 | 181518 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1466 | 49 | 14 | 20 | -0.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| CHEMBL4560445 | 181518 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1466 | 49 | 14 | 20 | -0.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b01862 | ||
| 155560248 | 181825 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 2235 | 53 | 24 | 30 | -2.9 | 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](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| CHEMBL4567752 | 181825 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 2235 | 53 | 24 | 30 | -2.9 | 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](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)N[C@@H](Cc3ccc(O)cc3)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)N2)C(=O)NCC(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.6b00564 | ||
| 135506374 | 144678 | 23 | None | -3 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.bmcl.2017.04.030 | ||
| CHEMBL3763342 | 144678 | 23 | None | -3 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.bmcl.2017.04.030 | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.04.030 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.04.030 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.04.030 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.04.030 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.04.030 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2017.04.030 | ||||
| 44352184 | 123753 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 687 | 11 | 2 | 8 | 2.5 | Cn1cnc(CC(=O)NC(CCS(C)(=O)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| CHEMBL338711 | 123753 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 687 | 11 | 2 | 8 | 2.5 | Cn1cnc(CC(=O)NC(CCS(C)(=O)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| 44352185 | 28177 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 673 | 11 | 3 | 7 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131477 | 28177 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 673 | 11 | 3 | 7 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 14981580 | 85646 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 1.9 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCNCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112895 | 85646 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 1.9 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCNCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 14981581 | 85644 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 686 | 11 | 2 | 9 | 1.7 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCS(=O)(=O)CC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112893 | 85644 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 686 | 11 | 2 | 9 | 1.7 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCS(=O)(=O)CC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 10394512 | 123792 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 652 | 11 | 3 | 7 | 2.3 | Cn1cnc(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| CHEMBL338921 | 123792 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 652 | 11 | 3 | 7 | 2.3 | Cn1cnc(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| CHEMBL2112247 | 216013 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44273425 | 105679 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.6 | C[C@@H](O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL279281 | 105679 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.6 | C[C@@H](O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 44352453 | 25739 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 535 | 6 | 2 | 5 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1cccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128726 | 25739 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 535 | 6 | 2 | 5 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1cccnc1)C2 | 10.1021/jm00077a002 | ||
| 10073512 | 27312 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 471 | 4 | 1 | 3 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1CCNC1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130768 | 27312 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 471 | 4 | 1 | 3 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1CCNC1=O)C2 | 10.1021/jm00077a002 | ||
| 10393719 | 29095 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 595 | 8 | 2 | 5 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)CC1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| CHEMBL132391 | 29095 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 595 | 8 | 2 | 5 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)CC1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| 44352490 | 124730 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 577 | 6 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C1CC(S(C)(=O)=O)CN1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340362 | 124730 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 577 | 6 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C1CC(S(C)(=O)=O)CN1)C2 | 10.1021/jm00077a002 | ||
| 44433367 | 96622 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL237772 | 96622 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| 44433372 | 96701 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 426 | 5 | 3 | 3 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL237987 | 96701 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 426 | 5 | 3 | 3 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| 44433375 | 96962 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 505 | 7 | 3 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(=O)O)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL238206 | 96962 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 505 | 7 | 3 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(=O)O)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| 44433363 | 153430 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL392363 | 153430 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| 44350917 | 24852 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 417 | 3 | 1 | 3 | 3.9 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc43)CC1)[C@@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL126709 | 24852 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 417 | 3 | 1 | 3 | 3.9 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc43)CC1)[C@@H](O)C2 | 10.1021/jm00099a020 | ||
| 10256140 | 28290 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 520 | 6 | 1 | 3 | 4.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1ccccc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131613 | 28290 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 520 | 6 | 1 | 3 | 4.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1ccccc1)C2 | 10.1021/jm00077a002 | ||
| 11755934 | 124897 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 506 | 5 | 1 | 3 | 4.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)c1ccccc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340772 | 124897 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 506 | 5 | 1 | 3 | 4.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)c1ccccc1)C2 | 10.1021/jm00077a002 | ||
| 44351224 | 124797 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 351 | 3 | 0 | 2 | 4.0 | O=S(=O)(/C=C/c1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL340383 | 124797 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 351 | 3 | 0 | 2 | 4.0 | O=S(=O)(/C=C/c1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| 10358978 | 23720 | 1 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 325 | 2 | 0 | 2 | 3.4 | O=S(=O)(c1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL125358 | 23720 | 1 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 325 | 2 | 0 | 2 | 3.4 | O=S(=O)(c1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| 9996817 | 24869 | 1 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 3.5 | O=S(=O)(c1cccs1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL126796 | 24869 | 1 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 3.5 | O=S(=O)(c1cccs1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| 19908315 | 25146 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 362 | 1 | 1 | 1 | 4.6 | O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL127119 | 25146 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 362 | 1 | 1 | 1 | 4.6 | O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| 11778918 | 26189 | 1 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 289 | 1 | 0 | 1 | 3.9 | O=C(c1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL129413 | 26189 | 1 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 289 | 1 | 0 | 1 | 3.9 | O=C(c1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| 10402786 | 123607 | 1 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 304 | 1 | 1 | 1 | 4.3 | O=C(Nc1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL337976 | 123607 | 1 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 304 | 1 | 1 | 1 | 4.3 | O=C(Nc1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| 10404941 | 123728 | 1 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 339 | 2 | 0 | 2 | 3.7 | Cc1ccccc1S(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL338605 | 123728 | 1 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 339 | 2 | 0 | 2 | 3.7 | Cc1ccccc1S(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| 10403606 | 124500 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 318 | 1 | 1 | 1 | 4.6 | Cc1ccc(NC(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm00099a020 | ||
| CHEMBL340149 | 124500 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 318 | 1 | 1 | 1 | 4.6 | Cc1ccc(NC(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm00099a020 | ||
| 10432863 | 105092 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@](O)(CN)C2 | 10.1021/jm00077a002 | ||
| CHEMBL274955 | 105092 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@](O)(CN)C2 | 10.1021/jm00077a002 | ||
| 10391626 | 123676 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338362 | 123676 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 44429299 | 176029 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1035 | 20 | 11 | 14 | -1.3 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL441128 | 176029 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1035 | 20 | 11 | 14 | -1.3 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)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 | 10.1016/j.ejmech.2006.12.016 | ||
| 16737617 | 168712 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1053 | 17 | 11 | 14 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2Cc3ccccc3C[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.ejmech.2006.12.016 | ||
| CHEMBL415418 | 168712 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1053 | 17 | 11 | 14 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2Cc3ccccc3C[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.ejmech.2006.12.016 | ||
| 10483940 | 124052 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 616 | 9 | 2 | 6 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)c1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339497 | 124052 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 616 | 9 | 2 | 6 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)c1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 10368075 | 175230 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 484 | 4 | 0 | 4 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CCC1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL435019 | 175230 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 484 | 4 | 0 | 4 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CCC1=O)C2 | 10.1021/jm00077a002 | ||
| 44352360 | 25640 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 512 | 5 | 1 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CN1C(=O)CCC1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128216 | 25640 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 512 | 5 | 1 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CN1C(=O)CCC1=O)C2 | 10.1021/jm00077a002 | ||
| 44352425 | 27794 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 501 | 6 | 2 | 4 | 3.6 | CC(C)[C@@H](N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL131168 | 27794 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 501 | 6 | 2 | 4 | 3.6 | CC(C)[C@@H](N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44352371 | 28097 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 593 | 9 | 3 | 7 | 1.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C(N)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131388 | 28097 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 593 | 9 | 3 | 7 | 1.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C(N)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 44352438 | 121999 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 541 | 6 | 3 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C1CCCNC1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL334610 | 121999 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 541 | 6 | 3 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C1CCCNC1)C2 | 10.1021/jm00077a002 | ||
| 9985844 | 123426 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 588 | 6 | 2 | 4 | 4.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1[nH]cnc1Br)C2 | 10.1021/jm00077a002 | ||
| CHEMBL336992 | 123426 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 588 | 6 | 2 | 4 | 4.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1[nH]cnc1Br)C2 | 10.1021/jm00077a002 | ||
| 10099421 | 171659 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 563 | 8 | 2 | 5 | 4.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)Cc1ccncc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL422080 | 171659 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 563 | 8 | 2 | 5 | 4.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)Cc1ccncc1)C2 | 10.1021/jm00077a002 | ||
| 44350931 | 24853 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 415 | 3 | 0 | 3 | 4.1 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL126717 | 24853 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 415 | 3 | 0 | 3 | 4.1 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| 44351066 | 26162 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 401 | 3 | 0 | 3 | 3.7 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL129268 | 26162 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 401 | 3 | 0 | 3 | 3.7 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| 132072820 | 187712 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 610 | 8 | 0 | 7 | 5.4 | COC(=O)[C@H]1[C@@H](OCc2cccc(OC)c2)CC[C@H]2CN3CC[C@@]4(C(=O)N(Cc5cccc(OC)c5)c5ccccc54)[C@@H]3C[C@@H]21 | 10.1016/j.bmc.2020.115546 | ||
| CHEMBL4758081 | 187712 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 610 | 8 | 0 | 7 | 5.4 | COC(=O)[C@H]1[C@@H](OCc2cccc(OC)c2)CC[C@H]2CN3CC[C@@]4(C(=O)N(Cc5cccc(OC)c5)c5ccccc54)[C@@H]3C[C@@H]21 | 10.1016/j.bmc.2020.115546 | ||
| 71458039 | 85650 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00031a004 | ||
| CHEMBL2112899 | 85650 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00031a004 | ||
| 71449109 | 85654 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00031a004 | ||
| CHEMBL2112902 | 85654 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00031a004 | ||
| 9805972 | 105391 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](N)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL276990 | 105391 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](N)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 10256467 | 27279 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130742 | 27279 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| 10257352 | 85557 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2112666 | 85557 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 10370697 | 125165 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341049 | 125165 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 11756081 | 25671 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 510 | 6 | 1 | 5 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cn1ccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128398 | 25671 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 510 | 6 | 1 | 5 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cn1ccnc1)C2 | 10.1021/jm00077a002 | ||
| 10436744 | 27941 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccncc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131269 | 27941 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccncc1)C2 | 10.1021/jm00077a002 | ||
| 10415138 | 123736 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 4.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1ccccn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338636 | 123736 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 4.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1ccccn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339493 | 218405 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10386478 | 123765 | 1 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 403 | 2 | 0 | 2 | 4.2 | O=S(=O)(c1ccc(Br)cc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL338757 | 123765 | 1 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 403 | 2 | 0 | 2 | 4.2 | O=S(=O)(c1ccc(Br)cc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| 9983834 | 123521 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL337519 | 123521 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 10026508 | 124701 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 3.6 | CC(=O)N[C@@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL340320 | 124701 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 3.6 | CC(=O)N[C@@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10031108 | 123336 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 578 | 6 | 1 | 3 | 6.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C[C@]13C[C@H]4C[C@H](C[C@H](C4)C1)C3)C2 | 10.1021/jm00077a002 | ||
| CHEMBL336362 | 123336 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 578 | 6 | 1 | 3 | 6.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C[C@]13C[C@H]4C[C@H](C[C@H](C4)C1)C3)C2 | 10.1021/jm00077a002 | ||
| 44273173 | 105801 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 555 | 7 | 0 | 5 | 4.0 | CCN(CC)[C@@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL280202 | 105801 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 555 | 7 | 0 | 5 | 4.0 | CCN(CC)[C@@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL338018 | 218381 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44273080 | 105395 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 571 | 7 | 1 | 7 | 2.4 | COC(=O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL277022 | 105395 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 571 | 7 | 1 | 7 | 2.4 | COC(=O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 10031372 | 25648 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 592 | 7 | 2 | 6 | 2.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCS(N)(=O)=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128258 | 25648 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 592 | 7 | 2 | 6 | 2.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCS(N)(=O)=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 10347928 | 125244 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341289 | 125244 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 10326385 | 162465 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 609 | 7 | 2 | 8 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(CC(=O)Nc3nn[nH]n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL405016 | 162465 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 609 | 7 | 2 | 8 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(CC(=O)Nc3nn[nH]n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL406351 | 219384 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)C(C)(C)SSC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)NCCCC[C@H](C(=O)NCC(N)=O)NC(=O)[C@H]3CCCN3C2=O)NC1=O | 10.1021/jm0303103 | ||||
| CHEMBL397407 | 219282 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | 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)N2Cc3ccccc3C[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.ejmech.2006.12.016 | ||||
| 10052640 | 27899 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 527 | 6 | 2 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CC1CCCNC1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131239 | 27899 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 527 | 6 | 2 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CC1CCCNC1)C2 | 10.1021/jm00077a002 | ||
| 44352497 | 123835 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 5 | 2 | 4 | 3.1 | CC(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL339151 | 123835 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 5 | 2 | 4 | 3.1 | CC(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44350953 | 25074 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 413 | 3 | 0 | 3 | 4.0 | CC1C(=O)[C@]2(CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)CCC1C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL127063 | 25074 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 413 | 3 | 0 | 3 | 4.0 | CC1C(=O)[C@]2(CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)CCC1C2(C)C | 10.1021/jm00099a020 | ||
| 10455392 | 25621 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CN)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128124 | 25621 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CN)C2 | 10.1021/jm00077a002 | ||
| CHEMBL234363 | 216316 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | 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)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.ejmech.2006.12.016 | ||||
| 10458629 | 25735 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 499 | 4 | 1 | 4 | 3.4 | CC1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| CHEMBL128712 | 25735 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 499 | 4 | 1 | 4 | 3.4 | CC1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| 10074681 | 123831 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 499 | 4 | 0 | 4 | 3.4 | CN1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| CHEMBL339132 | 123831 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 499 | 4 | 0 | 4 | 3.4 | CN1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| 10435004 | 25660 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 473 | 6 | 2 | 4 | 3.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCN)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128328 | 25660 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 473 | 6 | 2 | 4 | 3.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCN)C2 | 10.1021/jm00077a002 | ||
| 10075516 | 170989 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 7 | 1 | 5 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCn1ccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL421090 | 170989 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 7 | 1 | 5 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCn1ccnc1)C2 | 10.1021/jm00077a002 | ||
| 10324129 | 175331 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 512 | 6 | 1 | 7 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cn1cnnn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL435613 | 175331 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 512 | 6 | 1 | 7 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cn1cnnn1)C2 | 10.1021/jm00077a002 | ||
| 44351212 | 170169 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 473 | 5 | 2 | 4 | 3.7 | CC(C(=O)O)[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL419422 | 170169 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 473 | 5 | 2 | 4 | 3.7 | CC(C(=O)O)[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL1790937 | 215685 | 0 | None | 2 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| CHEMBL2370623 | 216670 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| CHEMBL338308 | 218387 | 0 | None | 4 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 14981577 | 85652 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 636 | 11 | 2 | 7 | 3.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCCCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112900 | 85652 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 636 | 11 | 2 | 7 | 3.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCCCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 44273368 | 105570 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 584 | 9 | 1 | 6 | 3.2 | CN(C)CCCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL278377 | 105570 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 584 | 9 | 1 | 6 | 3.2 | CN(C)CCCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 10347928 | 125244 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 565 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341289 | 125244 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 565 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44273417 | 106283 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 555 | 7 | 0 | 5 | 4.0 | CCN(CC)[C@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL283317 | 106283 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 555 | 7 | 0 | 5 | 4.0 | CCN(CC)[C@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 10029340 | 25659 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 5 | 2 | 4 | 4.0 | Cc1[nH]cnc1C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL128327 | 25659 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 5 | 2 | 4 | 4.0 | Cc1[nH]cnc1C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10052468 | 27894 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)/C=C/c1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131235 | 27894 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)/C=C/c1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 10414877 | 28247 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 4.3 | CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C)c1c[nH]cn1 | 10.1021/jm00077a002 | ||
| CHEMBL131564 | 28247 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 4.3 | CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C)c1c[nH]cn1 | 10.1021/jm00077a002 | ||
| 44352353 | 123922 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 500 | 5 | 1 | 4 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@](O)(CN1CCCC1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339357 | 123922 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 500 | 5 | 1 | 4 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@](O)(CN1CCCC1=O)C2 | 10.1021/jm00077a002 | ||
| 9982888 | 175229 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 6 | 2 | 4 | 3.5 | CC(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL435009 | 175229 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 6 | 2 | 4 | 3.5 | CC(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL339452 | 218403 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)N(C)C1=O | 10.1021/jm00099a019 | ||||
| CHEMBL436397 | 220459 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10054982 | 123723 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 645 | 10 | 2 | 6 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N(CCc1c[nH]cn1)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338576 | 123723 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 645 | 10 | 2 | 6 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N(CCc1c[nH]cn1)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 10347928 | 125244 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 565 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341289 | 125244 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 565 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2369135 | 216374 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]([C@H](C)c2c(C)cc(OC)cc2C)NC(=O)[C@H](N)C(C)(C)SSC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)NCCCC[C@H](C(=O)NCC(N)=O)NC(=O)[C@H]3CCCN3C2=O)NC1=O | 10.1021/jm0303103 | ||||
| CHEMBL338294 | 218385 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10006805 | 172055 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 517 | 6 | 2 | 5 | 3.0 | COC(=O)CNC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL423156 | 172055 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 517 | 6 | 2 | 5 | 3.0 | COC(=O)CNC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10361799 | 24805 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 370 | 3 | 0 | 4 | 3.3 | O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm00099a020 | ||
| CHEMBL126453 | 24805 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 370 | 3 | 0 | 4 | 3.3 | O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm00099a020 | ||
| 44273369 | 106320 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL283524 | 106320 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 44352150 | 25637 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 515 | 7 | 2 | 5 | 2.8 | CC(C(N)=O)[C@@H](N)C(=O)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL128194 | 25637 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 515 | 7 | 2 | 5 | 2.8 | CC(C(N)=O)[C@@H](N)C(=O)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10098227 | 25729 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1cccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128680 | 25729 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1cccnc1)C2 | 10.1021/jm00077a002 | ||
| 10053091 | 27359 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 6 | 2 | 6 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1csc(N)n1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130803 | 27359 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 6 | 2 | 6 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1csc(N)n1)C2 | 10.1021/jm00077a002 | ||
| 10098755 | 28258 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 7 | 2 | 4 | 4.5 | CCC(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C)c1c[nH]cn1 | 10.1021/jm00077a002 | ||
| CHEMBL131581 | 28258 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 7 | 2 | 4 | 4.5 | CCC(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C)c1c[nH]cn1 | 10.1021/jm00077a002 | ||
| 44352393 | 123643 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 555 | 6 | 3 | 4 | 4.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)NC1CCCCC1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338177 | 123643 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 555 | 6 | 3 | 4 | 4.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)NC1CCCCC1)C2 | 10.1021/jm00077a002 | ||
| 44429288 | 94784 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1081 | 19 | 10 | 14 | -0.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL234377 | 94784 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1081 | 19 | 10 | 14 | -0.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[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 | 10.1016/j.ejmech.2006.12.016 | ||
| 2241 | 8999 | 1 | None | -2 | 4 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| 9810632 | 8999 | 1 | None | -2 | 4 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| CHEMBL127686 | 8999 | 1 | None | -2 | 4 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| CHEMBL1790938 | 215686 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 14981576 | 85645 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 610 | 12 | 1 | 7 | 2.9 | CCN(CC)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1021/jm00031a004 | ||
| CHEMBL2112894 | 85645 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 610 | 12 | 1 | 7 | 2.9 | CCN(CC)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1021/jm00031a004 | ||
| 44273346 | 169726 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 570 | 8 | 1 | 6 | 2.8 | CN(C)CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL417458 | 169726 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 570 | 8 | 1 | 6 | 2.8 | CN(C)CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 10051081 | 123681 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 485 | 4 | 1 | 4 | 3.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CNC1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338383 | 123681 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 485 | 4 | 1 | 4 | 3.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CNC1=O)C2 | 10.1021/jm00077a002 | ||
| 44352441 | 27462 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 535 | 6 | 2 | 5 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1ccccn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130887 | 27462 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 535 | 6 | 2 | 5 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1ccccn1)C2 | 10.1021/jm00077a002 | ||
| 44352440 | 123549 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 535 | 6 | 2 | 5 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1ccncc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL337667 | 123549 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 535 | 6 | 2 | 5 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1ccncc1)C2 | 10.1021/jm00077a002 | ||
| 10345259 | 123735 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 4 | 0 | 3 | 4.5 | CC1CCC(=O)N1[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL338635 | 123735 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 4 | 0 | 3 | 4.5 | CC1CCC(=O)N1[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10323684 | 123823 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339096 | 123823 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 10347089 | 175223 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 535 | 7 | 1 | 4 | 4.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCc1cccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL434993 | 175223 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 535 | 7 | 1 | 4 | 4.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCc1cccnc1)C2 | 10.1021/jm00077a002 | ||
| 44351086 | 24930 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 3 | 0 | 3 | 3.8 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL126962 | 24930 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 3 | 0 | 3 | 3.8 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| 10069537 | 170271 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 3 | 0 | 3 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL420144 | 170271 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 3 | 0 | 3 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00077a002 | ||
| 10054203 | 124823 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 593 | 8 | 0 | 6 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CCCn3ccnc3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340388 | 124823 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 593 | 8 | 0 | 6 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CCCn3ccnc3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338020 | 218382 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| CHEMBL340479 | 218412 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C=CCN1C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]1Cc1ccccc1 | 10.1021/jm00099a019 | ||||
| 10436274 | 105278 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 507 | 5 | 1 | 4 | 4.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)c1ccncc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL276079 | 105278 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 507 | 5 | 1 | 4 | 4.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)c1ccncc1)C2 | 10.1021/jm00077a002 | ||
| 44351071 | 26803 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 419 | 3 | 1 | 3 | 3.7 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(F)ccc43)CC1)[C@@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL130351 | 26803 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 419 | 3 | 1 | 3 | 3.7 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(F)ccc43)CC1)[C@@H](O)C2 | 10.1021/jm00099a020 | ||
| 44351053 | 125242 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 419 | 3 | 1 | 3 | 3.7 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(F)cc43)CC1)[C@@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL341274 | 125242 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 419 | 3 | 1 | 3 | 3.7 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(F)cc43)CC1)[C@@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL2370761 | 216698 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@H](C)c2c(C)cc(OC)cc2C)NC(=O)[C@H](N)C(C)(C)SSC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)NCCCC[C@H](C(=O)NCC(N)=O)NC(=O)[C@H]3CCCN3C2=O)NC1=O | 10.1021/jm0303103 | ||||
| CHEMBL2112249 | 216015 | 1 | None | 8 | 2 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 11764710 | 123217 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 638 | 11 | 4 | 6 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL336082 | 123217 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 638 | 11 | 4 | 6 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 10078034 | 124250 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 652 | 11 | 3 | 7 | 2.3 | Cn1cncc1CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL339929 | 124250 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 652 | 11 | 3 | 7 | 2.3 | Cn1cncc1CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 14981578 | 85648 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 2.3 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCOCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112897 | 85648 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 2.3 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCOCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 10483586 | 27469 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 591 | 7 | 1 | 6 | 2.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCS(C)(=O)=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130891 | 27469 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 591 | 7 | 1 | 6 | 2.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCS(C)(=O)=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2006.12.016 | ||||
| 71450903 | 85653 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 614 | 12 | 3 | 9 | 0.8 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(CO)CO)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112901 | 85653 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 614 | 12 | 3 | 9 | 0.8 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(CO)CO)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112651 | 216021 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44273259 | 80295 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 557 | 7 | 1 | 6 | 2.5 | CN(CCO)C1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20171 | 80295 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 557 | 7 | 1 | 6 | 2.5 | CN(CCO)C1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 44273355 | 81722 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 587 | 8 | 0 | 6 | 3.9 | CN(C)CCSC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20319 | 81722 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 587 | 8 | 0 | 6 | 3.9 | CN(C)CCSC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 44273426 | 83881 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.6 | C[C@H](CO)NC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20757 | 83881 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.6 | C[C@H](CO)NC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 44272990 | 106382 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 500 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL283994 | 106382 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 500 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 44352164 | 25666 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 541 | 4 | 1 | 5 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C3CC(O)CN3C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128383 | 25666 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 541 | 4 | 1 | 5 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C3CC(O)CN3C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339118 | 218396 | 0 | None | 19 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44273077 | 105960 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 589 | 7 | 1 | 5 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](NCc3ccccc3)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL281361 | 105960 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 589 | 7 | 1 | 5 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](NCc3ccccc3)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 44352165 | 125332 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 552 | 7 | 3 | 6 | 1.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CS(N)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341507 | 125332 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 552 | 7 | 3 | 6 | 1.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CS(N)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 44350916 | 124410 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 417 | 3 | 1 | 3 | 3.9 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc43)CC1)[C@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL340102 | 124410 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 417 | 3 | 1 | 3 | 3.9 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc43)CC1)[C@H](O)C2 | 10.1021/jm00099a020 | ||
| 44352496 | 26333 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 538 | 4 | 1 | 5 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C3CCC(=N)N3C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL129983 | 26333 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 538 | 4 | 1 | 5 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C3CCC(=N)N3C1=O)C2 | 10.1021/jm00077a002 | ||
| 10391259 | 25668 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 499 | 5 | 1 | 4 | 3.3 | CNC1CCN([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| CHEMBL128388 | 25668 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 499 | 5 | 1 | 4 | 3.3 | CNC1CCN([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| 44342196 | 117638 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 428 | 6 | 0 | 7 | 5.1 | COc1cc(C)cc2c1Oc1ccc([C@H](CC(C)C)OC(C)=O)c(OC)c1C(=O)OC2 | 10.1016/S0960-894X(01)80905-7 | ||
| CHEMBL326085 | 117638 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 428 | 6 | 0 | 7 | 5.1 | COc1cc(C)cc2c1Oc1ccc([C@H](CC(C)C)OC(C)=O)c(OC)c1C(=O)OC2 | 10.1016/S0960-894X(01)80905-7 | ||
| CHEMBL339450 | 218402 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10007685 | 105376 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 548 | 7 | 2 | 4 | 4.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1ccccc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL276906 | 105376 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 548 | 7 | 2 | 4 | 4.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1ccccc1)C2 | 10.1021/jm00077a002 | ||
| 10052134 | 124714 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 6 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1nnn[nH]1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340334 | 124714 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 6 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1nnn[nH]1)C2 | 10.1021/jm00077a002 | ||
| 44350954 | 25145 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 401 | 3 | 1 | 3 | 3.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL127118 | 25145 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 401 | 3 | 1 | 3 | 3.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@H](O)C2 | 10.1021/jm00099a020 | ||
| 44350850 | 123822 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 3.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)NCCC1CCc3ccccc31)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL339093 | 123822 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 3.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)NCCC1CCc3ccccc31)C(=O)C2 | 10.1021/jm00099a020 | ||
| 10386343 | 25689 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 401 | 3 | 1 | 3 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@H](O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128497 | 25689 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 401 | 3 | 1 | 3 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@H](O)C2 | 10.1021/jm00077a002 | ||
| 10315031 | 125120 | 1 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 337 | 2 | 0 | 1 | 5.3 | O=C(CC1CCCCCCC1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL341021 | 125120 | 1 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 337 | 2 | 0 | 1 | 5.3 | O=C(CC1CCCCCCC1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| 10393977 | 175300 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 611 | 10 | 3 | 5 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N(CCC(=O)O)CCc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL435409 | 175300 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 611 | 10 | 3 | 5 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N(CCC(=O)O)CCc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 44351231 | 26208 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 417 | 3 | 0 | 3 | 3.9 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(F)cc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL129498 | 26208 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 417 | 3 | 0 | 3 | 3.9 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(F)cc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| 44351156 | 123642 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 417 | 3 | 0 | 3 | 3.9 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(F)ccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL338170 | 123642 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 417 | 3 | 0 | 3 | 3.9 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(F)ccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| 44273459 | 80702 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 482 | 4 | 0 | 4 | 3.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C=CC1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20205 | 80702 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 482 | 4 | 0 | 4 | 3.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C=CC1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 10459672 | 124269 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 530 | 8 | 1 | 5 | 4.0 | CCOC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL340016 | 124269 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 530 | 8 | 1 | 5 | 4.0 | CCOC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44351226 | 125241 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 399 | 3 | 0 | 3 | 3.8 | CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL341267 | 125241 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 399 | 3 | 0 | 3 | 3.8 | CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL126765 | 215447 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 44429294 | 175098 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1184 | 18 | 9 | 14 | 0.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3Cc4ccccc4C[C@@H]3C(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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL434193 | 175098 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1184 | 18 | 9 | 14 | 0.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3Cc4ccccc4C[C@@H]3C(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 | 10.1016/j.ejmech.2006.12.016 | ||
| 44273473 | 79559 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 542 | 5 | 0 | 6 | 3.2 | CC(=O)OC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20002 | 79559 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 542 | 5 | 0 | 6 | 3.2 | CC(=O)OC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 10369423 | 175358 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 520 | 6 | 1 | 3 | 4.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccccc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL435815 | 175358 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 520 | 6 | 1 | 3 | 4.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccccc1)C2 | 10.1021/jm00077a002 | ||
| 44351087 | 123670 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 401 | 3 | 1 | 3 | 3.6 | CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL338336 | 123670 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 401 | 3 | 1 | 3 | 3.6 | CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL338221 | 218384 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N2CCCC[C@H]2C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1C | 10.1021/jm00099a019 | ||||
| 10391520 | 27316 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 507 | 5 | 1 | 4 | 4.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)c1cccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130770 | 27316 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 507 | 5 | 1 | 4 | 4.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)c1cccnc1)C2 | 10.1021/jm00077a002 | ||
| 44352363 | 123047 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 626 | 6 | 2 | 6 | 3.7 | COC(=O)[N+]12CCC(CC1)C(C(=O)NC[C@@]1(O)C[C@H]3CC[C@]1(CS(=O)(=O)N1CCC4(C=Cc5ccccc54)CC1)C3(C)C)C2 | 10.1021/jm00077a002 | ||
| CHEMBL335886 | 123047 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 626 | 6 | 2 | 6 | 3.7 | COC(=O)[N+]12CCC(CC1)C(C(=O)NC[C@@]1(O)C[C@H]3CC[C@]1(CS(=O)(=O)N1CCC4(C=Cc5ccccc54)CC1)C3(C)C)C2 | 10.1021/jm00077a002 | ||
| 11756226 | 28730 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 514 | 5 | 1 | 4 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CCC1C(=O)O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL132064 | 28730 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 514 | 5 | 1 | 4 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CCC1C(=O)O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL129414 | 215460 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10459923 | 123120 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 539 | 5 | 1 | 4 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| CHEMBL335944 | 123120 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 539 | 5 | 1 | 4 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| 10415322 | 175019 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 556 | 7 | 2 | 5 | 2.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCC(N)=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL433662 | 175019 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 556 | 7 | 2 | 5 | 2.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCC(N)=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 10393965 | 28828 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 7 | 3 | 8 | 2.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CC(=O)Nc3nn[nH]n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL132157 | 28828 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 7 | 3 | 8 | 2.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CC(=O)Nc3nn[nH]n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 10392579 | 123473 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 542 | 6 | 1 | 5 | 3.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(CC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL337221 | 123473 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 542 | 6 | 1 | 5 | 3.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(CC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44352481 | 123799 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 621 | 11 | 1 | 6 | 3.8 | CCN(CC)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL338951 | 123799 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 621 | 11 | 1 | 6 | 3.8 | CCN(CC)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 9984805 | 123836 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 4.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCC1CCCNC1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339155 | 123836 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 4.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCC1CCCNC1)C2 | 10.1021/jm00077a002 | ||
| 10053396 | 121892 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 554 | 8 | 3 | 7 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)Cc1nnn[nH]1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL334332 | 121892 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 554 | 8 | 3 | 7 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)Cc1nnn[nH]1)C2 | 10.1021/jm00077a002 | ||
| 10407141 | 23774 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 375 | 2 | 0 | 2 | 4.6 | O=S(=O)(c1ccc2ccccc2c1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL125406 | 23774 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 375 | 2 | 0 | 2 | 4.6 | O=S(=O)(c1ccc2ccccc2c1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| 44351225 | 24791 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.5 | CC1(C)C2CC[C@](CS(=O)(=O)N3CCC4(CCc5ccccc54)CC3)(C2)C1O | 10.1021/jm00099a020 | ||
| CHEMBL126371 | 24791 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.5 | CC1(C)C2CC[C@](CS(=O)(=O)N3CCC4(CCc5ccccc54)CC3)(C2)C1O | 10.1021/jm00099a020 | ||
| 10068542 | 24826 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 3 | 0 | 4 | 3.2 | COC(=O)c1ccccc1S(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL126565 | 24826 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 3 | 0 | 4 | 3.2 | COC(=O)c1ccccc1S(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| 44351265 | 124861 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 486 | 5 | 1 | 4 | 3.4 | CC(C)C(=O)NC1C(=O)[C@]2(CS(=O)(=O)N3CCC4(CCc5ccccc54)CC3)CCC1C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL340589 | 124861 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 486 | 5 | 1 | 4 | 3.4 | CC(C)C(=O)NC1C(=O)[C@]2(CS(=O)(=O)N3CCC4(CCc5ccccc54)CC3)CCC1C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL2112656 | 216024 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10250542 | 122274 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 402 | 3 | 1 | 3 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N)C2 | 10.1021/jm00077a002 | ||
| CHEMBL335170 | 122274 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 402 | 3 | 1 | 3 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N)C2 | 10.1021/jm00077a002 | ||
| 10416272 | 111516 | 6 | None | - | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL31065 | 111516 | 6 | None | - | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 9983763 | 26156 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 508 | 7 | 1 | 4 | 3.8 | CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL129234 | 26156 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 508 | 7 | 1 | 4 | 3.8 | CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44272960 | 80040 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 527 | 6 | 1 | 5 | 3.2 | CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20126 | 80040 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 527 | 6 | 1 | 5 | 3.2 | CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 44352311 | 25724 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 638 | 11 | 4 | 6 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128652 | 25724 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 638 | 11 | 4 | 6 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| 10100280 | 103593 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 9 | 0 | 7 | 3.9 | COC(=O)CCN(C(=O)Cc1cn(C)cn1)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL265073 | 103593 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 9 | 0 | 7 | 3.9 | COC(=O)CCN(C(=O)Cc1cn(C)cn1)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10392298 | 123591 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CC[N+](=O)[O-])C2 | 10.1021/jm00077a002 | ||
| CHEMBL337888 | 123591 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CC[N+](=O)[O-])C2 | 10.1021/jm00077a002 | ||
| CHEMBL129733 | 215461 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44350982 | 24973 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.5 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL126999 | 24973 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.5 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL52813 | 222484 | 0 | None | 23 | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44268726 | 104145 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 427 | 3 | 0 | 3 | 4.4 | CC1(C)C(=O)[C@]2(CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)CCC1C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL269624 | 104145 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 427 | 3 | 0 | 3 | 4.4 | CC1(C)C(=O)[C@]2(CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)CCC1C2(C)C | 10.1021/jm00099a020 | ||
| 44351266 | 125011 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 4 | 1 | 4 | 2.8 | CC(=O)NC1C(=O)[C@]2(CS(=O)(=O)N3CCC4(CCc5ccccc54)CC3)CCC1C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL340920 | 125011 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 4 | 1 | 4 | 2.8 | CC(=O)NC1C(=O)[C@]2(CS(=O)(=O)N3CCC4(CCc5ccccc54)CC3)CCC1C2(C)C | 10.1021/jm00099a020 | ||
| 10029477 | 27483 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 514 | 5 | 2 | 5 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CN)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130905 | 27483 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 514 | 5 | 2 | 5 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CN)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44352412 | 122277 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1ccncc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL335182 | 122277 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1ccncc1)C2 | 10.1021/jm00077a002 | ||
| 44351232 | 27217 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 5 | 1 | 5 | 3.5 | COC(=O)C[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL130695 | 27217 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 5 | 1 | 5 | 3.5 | COC(=O)C[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00099a020 | ||
| 3537 | 10776 | 22 | None | -3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2007.08.053 | ||
| 5311500 | 10776 | 22 | None | -3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL363910 | 10776 | 22 | None | -3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2007.08.053 | ||
| 10393379 | 26950 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 576 | 6 | 1 | 5 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3cccnc3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130476 | 26950 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 576 | 6 | 1 | 5 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3cccnc3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2370768 | 216699 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]([C@@H](C)c2c(C)cc(OC)cc2C)NC(=O)[C@H](N)C(C)(C)SSC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)NCCCC[C@H](C(=O)NCC(N)=O)NC(=O)[C@H]3CCCN3C2=O)NC1=O | 10.1021/jm0303103 | ||||
| 10030575 | 28891 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 554 | 5 | 2 | 4 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NC1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| CHEMBL132210 | 28891 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 554 | 5 | 2 | 4 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NC1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| 44351052 | 24159 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 413 | 3 | 0 | 3 | 4.0 | CC1CN(S(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)CCC12C=Cc1ccccc12 | 10.1021/jm00099a020 | ||
| CHEMBL125748 | 24159 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 413 | 3 | 0 | 3 | 4.0 | CC1CN(S(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)CCC12C=Cc1ccccc12 | 10.1021/jm00099a020 | ||
| 44352123 | 124869 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 566 | 8 | 3 | 6 | 1.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCS(N)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340639 | 124869 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 566 | 8 | 3 | 6 | 1.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCS(N)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 16737618 | 103657 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1053 | 17 | 11 | 14 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2Cc3ccccc3C[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.ejmech.2006.12.016 | ||
| CHEMBL265630 | 103657 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1053 | 17 | 11 | 14 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2Cc3ccccc3C[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.ejmech.2006.12.016 | ||
| 10366192 | 123470 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 3.6 | CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL337212 | 123470 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 3.6 | CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44351229 | 123667 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 401 | 3 | 1 | 3 | 3.6 | CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL338324 | 123667 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 401 | 3 | 1 | 3 | 3.6 | CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@H](O)C2 | 10.1021/jm00099a020 | ||
| 44352433 | 124053 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 622 | 10 | 3 | 7 | 1.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)CN)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339498 | 124053 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 622 | 10 | 3 | 7 | 1.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)CN)C2 | 10.1021/jm00077a002 | ||
| 10346739 | 123805 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 524 | 5 | 0 | 5 | 3.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CC#N)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338984 | 123805 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 524 | 5 | 0 | 5 | 3.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CC#N)C1=O)C2 | 10.1021/jm00077a002 | ||
| 9893887 | 54388 | 2 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1016/j.bmc.2020.115546 | ||
| CHEMBL154668 | 54388 | 2 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1016/j.bmc.2020.115546 | ||
| 14981575 | 85647 | 0 | None | - | 1 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 582 | 10 | 1 | 7 | 2.1 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(C)C)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112896 | 85647 | 0 | None | - | 1 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 582 | 10 | 1 | 7 | 2.1 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(C)C)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 44352492 | 25742 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 1 | 6 | 3.0 | CN(C)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL128749 | 25742 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 1 | 6 | 3.0 | CN(C)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44429298 | 154232 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1033 | 19 | 10 | 14 | -1.5 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCCC[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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL393020 | 154232 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1033 | 19 | 10 | 14 | -1.5 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCCC[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 | 10.1016/j.ejmech.2006.12.016 | ||
| 44273321 | 174281 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 7 | 2 | 6 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCN)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL429971 | 174281 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 7 | 2 | 6 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCN)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 71449094 | 85554 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 581 | 8 | 3 | 7 | 1.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@](O)(CNC(=O)C(N)CS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2112663 | 85554 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 581 | 8 | 3 | 7 | 1.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@](O)(CNC(=O)C(N)CS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 9797987 | 125287 | 3 | None | -1 | 3 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 339 | 2 | 0 | 2 | 3.7 | Cc1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm00099a020 | ||
| CHEMBL341490 | 125287 | 3 | None | -1 | 3 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 339 | 2 | 0 | 2 | 3.7 | Cc1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm00099a020 | ||
| CHEMBL2112655 | 216023 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10323799 | 123386 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 7 | 2 | 4 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCC(=O)O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL336742 | 123386 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 7 | 2 | 4 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCC(=O)O)C2 | 10.1021/jm00077a002 | ||
| 44352373 | 29092 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 543 | 8 | 3 | 5 | 3.4 | CC(C)C[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL132389 | 29092 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 543 | 8 | 3 | 5 | 3.4 | CC(C)C[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 11757440 | 123707 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 556 | 7 | 1 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(CCC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338503 | 123707 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 556 | 7 | 1 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(CCC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44352374 | 25299 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 529 | 7 | 3 | 5 | 3.0 | CC(C)[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL127445 | 25299 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 529 | 7 | 3 | 5 | 3.0 | CC(C)[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44273034 | 105824 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.3 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCC(=O)O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL280356 | 105824 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.3 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCC(=O)O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL340204 | 218411 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44352431 | 25675 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 7 | 3 | 5 | 3.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128417 | 25675 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 7 | 3 | 5 | 3.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 10483039 | 85272 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2111851 | 85272 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 10347314 | 123705 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 8 | 2 | 4 | 4.9 | CCC(C)(C)C(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL338499 | 123705 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 8 | 2 | 4 | 4.9 | CCC(C)(C)C(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44352443 | 125249 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 539 | 7 | 3 | 5 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341311 | 125249 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 539 | 7 | 3 | 5 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 44352299 | 123581 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 416 | 3 | 1 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)/C(=N\O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL337842 | 123581 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 416 | 3 | 1 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)/C(=N\O)C2 | 10.1021/jm00077a002 | ||
| 44351210 | 124087 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 557 | 3 | 0 | 3 | 5.0 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)c1ccccc1C(Br)C3Br)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL339698 | 124087 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 557 | 3 | 0 | 3 | 5.0 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)c1ccccc1C(Br)C3Br)C(=O)C2 | 10.1021/jm00099a020 | ||
| 44352124 | 123830 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 512 | 7 | 2 | 5 | 3.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCC#N)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339124 | 123830 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 512 | 7 | 2 | 5 | 3.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCC#N)C2 | 10.1021/jm00077a002 | ||
| 44351215 | 124506 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 477 | 4 | 1 | 3 | 5.1 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(c1ccccc1)C2 | 10.1021/jm00099a020 | ||
| CHEMBL340153 | 124506 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 477 | 4 | 1 | 3 | 5.1 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(c1ccccc1)C2 | 10.1021/jm00099a020 | ||
| 10321314 | 124505 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 445 | 4 | 2 | 3 | 3.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(N)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340150 | 124505 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 445 | 4 | 2 | 3 | 3.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(N)=O)C2 | 10.1021/jm00077a002 | ||
| 10030575 | 28891 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 5 | 2 | 4 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NC1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| CHEMBL132210 | 28891 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 5 | 2 | 4 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NC1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| 44351034 | 123666 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 401 | 3 | 1 | 3 | 3.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL338318 | 123666 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 401 | 3 | 1 | 3 | 3.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@H](O)C2 | 10.1021/jm00099a020 | ||
| 10046632 | 122130 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 401 | 3 | 1 | 3 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@H](O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL334953 | 122130 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 401 | 3 | 1 | 3 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@H](O)C2 | 10.1021/jm00077a002 | ||
| 10370147 | 25626 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 6 | 1 | 5 | 2.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128163 | 25626 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 6 | 1 | 5 | 2.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 10369550 | 125254 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 524 | 6 | 1 | 5 | 3.6 | Cn1cncc1CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL341338 | 125254 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 524 | 6 | 1 | 5 | 3.6 | Cn1cncc1CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44352473 | 124004 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 606 | 7 | 2 | 4 | 5.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)CC13CC4CC(CC(C4)C1)C3)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339464 | 124004 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 606 | 7 | 2 | 4 | 5.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)CC13CC4CC(CC(C4)C1)C3)C2 | 10.1021/jm00077a002 | ||
| 44429303 | 154233 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1007 | 20 | 11 | 14 | -1.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL393021 | 154233 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1007 | 20 | 11 | 14 | -1.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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 | 10.1016/j.ejmech.2006.12.016 | ||
| 44352171 | 27588 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 565 | 7 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)C1=CCC(=O)N=C1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130993 | 27588 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 565 | 7 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)C1=CCC(=O)N=C1)C2 | 10.1021/jm00077a002 | ||
| 44352442 | 170242 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 567 | 8 | 2 | 5 | 3.5 | CN(C)[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL419973 | 170242 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 567 | 8 | 2 | 5 | 3.5 | CN(C)[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10460610 | 179409 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 567 | 6 | 1 | 7 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(Cc3nn[nH]n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL449399 | 179409 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 567 | 6 | 1 | 7 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(Cc3nn[nH]n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 9986160 | 124148 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 608 | 7 | 2 | 6 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CC(=O)Nc3ncc[nH]3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339768 | 124148 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 608 | 7 | 2 | 6 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CC(=O)Nc3ncc[nH]3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44352347 | 123584 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 540 | 6 | 4 | 7 | 2.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1n[nH]c(N)n1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL337853 | 123584 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 540 | 6 | 4 | 7 | 2.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1n[nH]c(N)n1)C2 | 10.1021/jm00077a002 | ||
| 11757133 | 123718 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 6 | 2 | 5 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338548 | 123718 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 6 | 2 | 5 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44352146 | 123995 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 513 | 5 | 2 | 5 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CN1C(=O)CNC1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339433 | 123995 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 513 | 5 | 2 | 5 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CN1C(=O)CNC1=O)C2 | 10.1021/jm00077a002 | ||
| 10258572 | 124877 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 638 | 11 | 4 | 6 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CC(CC(N)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340676 | 124877 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 638 | 11 | 4 | 6 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CC(CC(N)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 44342185 | 16835 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 456 | 6 | 0 | 8 | 5.0 | COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)OCc1cc(C)cc(OC(C)=O)c1O2 | 10.1016/S0960-894X(01)80905-7 | ||
| CHEMBL115277 | 16835 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 456 | 6 | 0 | 8 | 5.0 | COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)OCc1cc(C)cc(OC(C)=O)c1O2 | 10.1016/S0960-894X(01)80905-7 | ||
| 10357626 | 125192 | 1 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 3.8 | O=C(Cc1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL341077 | 125192 | 1 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 3.8 | O=C(Cc1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| 44429290 | 94144 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1081 | 19 | 10 | 14 | -0.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL233328 | 94144 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1081 | 19 | 10 | 14 | -0.9 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL415417 | 219967 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(C)(C)C)C(=O)NCC(N)=O | 10.1016/j.ejmech.2006.12.016 | ||||
| 172997 | 9112 | 57 | None | - | 2 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.08.053 | ||
| 2238 | 9112 | 57 | None | - | 2 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL49429 | 9112 | 57 | None | - | 2 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.08.053 | ||
| DB06666 | 9112 | 57 | None | - | 2 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.08.053 | ||
| 10436379 | 80954 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20230 | 80954 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1016/0960-894X(94)00469-V | ||
| 10413997 | 9005 | 5 | None | 1 | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 10.1021/jm00077a002 | ||
| 2246 | 9005 | 5 | None | 1 | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 10.1021/jm00077a002 | ||
| CHEMBL338522 | 9005 | 5 | None | 1 | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 10.1021/jm00077a002 | ||
| 44352413 | 28236 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1cccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131551 | 28236 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1cccnc1)C2 | 10.1021/jm00077a002 | ||
| 10052855 | 123405 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 534 | 7 | 1 | 3 | 5.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCc1ccccc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL336857 | 123405 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 534 | 7 | 1 | 3 | 5.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCc1ccccc1)C2 | 10.1021/jm00077a002 | ||
| 44352491 | 125007 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 549 | 8 | 2 | 5 | 2.7 | C[S+]([O-])CCC(N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL340915 | 125007 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 549 | 8 | 2 | 5 | 2.7 | C[S+]([O-])CCC(N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL127056 | 215448 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10046625 | 175191 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 401 | 5 | 0 | 4 | 3.5 | CCOC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1C | 10.1021/jm00099a020 | ||
| CHEMBL434825 | 175191 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 401 | 5 | 0 | 4 | 3.5 | CCOC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1C | 10.1021/jm00099a020 | ||
| 44429304 | 94040 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1062 | 19 | 10 | 14 | -0.7 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N3CCCC[C@@H]3C(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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL233080 | 94040 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1062 | 19 | 10 | 14 | -0.7 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N3CCCC[C@@H]3C(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 | 10.1016/j.ejmech.2006.12.016 | ||
| 10075696 | 28313 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131650 | 28313 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| 44351092 | 24997 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 419 | 3 | 1 | 3 | 3.7 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(F)ccc43)CC1)[C@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL127016 | 24997 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 419 | 3 | 1 | 3 | 3.7 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(F)ccc43)CC1)[C@H](O)C2 | 10.1021/jm00099a020 | ||
| 44351219 | 123873 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 419 | 3 | 1 | 3 | 3.7 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(F)cc43)CC1)[C@H](O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL339302 | 123873 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 419 | 3 | 1 | 3 | 3.7 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(F)cc43)CC1)[C@H](O)C2 | 10.1021/jm00099a020 | ||
| 44352392 | 123634 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 567 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338118 | 123634 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 567 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| 9984984 | 123701 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 548 | 8 | 1 | 3 | 5.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCCc1ccccc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338490 | 123701 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 548 | 8 | 1 | 3 | 5.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCCc1ccccc1)C2 | 10.1021/jm00077a002 | ||
| 9974603 | 25142 | 1 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 341 | 2 | 0 | 2 | 3.7 | Cc1ccc(S(=O)(=O)N2CCC3(CCc4ccccc43)CC2)cc1 | 10.1021/jm00099a020 | ||
| CHEMBL127117 | 25142 | 1 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 341 | 2 | 0 | 2 | 3.7 | Cc1ccc(S(=O)(=O)N2CCC3(CCc4ccccc43)CC2)cc1 | 10.1021/jm00099a020 | ||
| 44352428 | 123924 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 515 | 7 | 2 | 4 | 4.0 | CC(C)C[C@@H](N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL339366 | 123924 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 515 | 7 | 2 | 4 | 4.0 | CC(C)C[C@@H](N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44350978 | 24455 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 415 | 3 | 1 | 3 | 3.8 | C[C@@H]1C2CC[C@@](CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)([C@H]1O)C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL125847 | 24455 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 415 | 3 | 1 | 3 | 3.8 | C[C@@H]1C2CC[C@@](CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)([C@H]1O)C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL2112248 | 216014 | 0 | None | 1 | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 11764606 | 124142 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 630 | 9 | 0 | 7 | 3.3 | Cn1cnc(CC(=O)N(CCS(C)(=O)=O)[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| CHEMBL339756 | 124142 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 630 | 9 | 0 | 7 | 3.3 | Cn1cnc(CC(=O)N(CCS(C)(=O)=O)[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| 10258045 | 25641 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 1.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCN)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128219 | 25641 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 1.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCN)C2 | 10.1021/jm00077a002 | ||
| 10461149 | 124058 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 596 | 7 | 4 | 8 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CNc3n[nH]c(N)n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339524 | 124058 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 596 | 7 | 4 | 8 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CNc3n[nH]c(N)n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 10324965 | 26326 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 4.1 | CC(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C)c1cn(C)cn1 | 10.1021/jm00077a002 | ||
| CHEMBL129971 | 26326 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 4.1 | CC(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C)c1cn(C)cn1 | 10.1021/jm00077a002 | ||
| 10480543 | 123303 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 485 | 4 | 1 | 4 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1CCC(N)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL336195 | 123303 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 485 | 4 | 1 | 4 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1CCC(N)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44351264 | 26135 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 415 | 3 | 1 | 3 | 4.0 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@](C)(O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL129104 | 26135 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 415 | 3 | 1 | 3 | 4.0 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@](C)(O)C2 | 10.1021/jm00099a020 | ||
| 10021111 | 24755 | 5 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 355 | 3 | 0 | 3 | 3.4 | COc1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm00099a020 | ||
| CHEMBL126195 | 24755 | 5 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 355 | 3 | 0 | 3 | 3.4 | COc1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm00099a020 | ||
| 10370127 | 25643 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 542 | 6 | 2 | 5 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CN1CC[C@H](N)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128228 | 25643 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 542 | 6 | 2 | 5 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CN1CC[C@H](N)C1=O)C2 | 10.1021/jm00077a002 | ||
| 10460052 | 28892 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 8 | 2 | 5 | 2.3 | CN(C)CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL132211 | 28892 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 8 | 2 | 5 | 2.3 | CN(C)CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10255857 | 124150 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 5 | 1 | 4 | 5.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)c1cccs1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339783 | 124150 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 5 | 1 | 4 | 5.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)c1cccs1)C2 | 10.1021/jm00077a002 | ||
| 44351057 | 24874 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 413 | 3 | 0 | 3 | 4.1 | Cc1cccc2c1C1(C=C2)CCN(S(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL126824 | 24874 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 413 | 3 | 0 | 3 | 4.1 | Cc1cccc2c1C1(C=C2)CCN(S(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)CC1 | 10.1021/jm00099a020 | ||
| 44351155 | 26219 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 413 | 3 | 0 | 3 | 4.1 | Cc1cccc2c1C=CC21CCN(S(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL129581 | 26219 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 413 | 3 | 0 | 3 | 4.1 | Cc1cccc2c1C=CC21CCN(S(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)CC1 | 10.1021/jm00099a020 | ||
| 44351235 | 123651 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 429 | 4 | 1 | 3 | 4.3 | CC[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL338235 | 123651 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 429 | 4 | 1 | 3 | 4.3 | CC[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00099a020 | ||
| 44273316 | 105647 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 589 | 7 | 1 | 5 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](NCc3ccccc3)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL279022 | 105647 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 589 | 7 | 1 | 5 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](NCc3ccccc3)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 15011336 | 26159 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 359 | 3 | 0 | 3 | 3.1 | O=C1CCCCC1CS(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL129246 | 26159 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 359 | 3 | 0 | 3 | 3.1 | O=C1CCCCC1CS(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL419793 | 220020 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10098332 | 29220 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 524 | 6 | 1 | 5 | 3.6 | Cn1cnc(CC(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| CHEMBL132496 | 29220 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 524 | 6 | 1 | 5 | 3.6 | Cn1cnc(CC(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| 44352189 | 125280 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)/C(=N\O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341470 | 125280 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)/C(=N\O)C2 | 10.1021/jm00077a002 | ||
| 10414067 | 175296 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 5 | 1 | 3 | 5.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C1CCCCC1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL435398 | 175296 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 5 | 1 | 3 | 5.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C1CCCCC1)C2 | 10.1021/jm00077a002 | ||
| 44351192 | 124842 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 430 | 3 | 0 | 4 | 2.7 | CN1C(=O)C2(CCN(S(=O)(=O)C[C@]34CCC(CC3=O)C4(C)C)CC2)c2ccccc21 | 10.1021/jm00099a020 | ||
| CHEMBL340465 | 124842 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 430 | 3 | 0 | 4 | 2.7 | CN1C(=O)C2(CCN(S(=O)(=O)C[C@]34CCC(CC3=O)C4(C)C)CC2)c2ccccc21 | 10.1021/jm00099a020 | ||
| 10363767 | 26310 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 402 | 3 | 1 | 3 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](N)C2 | 10.1021/jm00077a002 | ||
| CHEMBL129955 | 26310 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 402 | 3 | 1 | 3 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](N)C2 | 10.1021/jm00077a002 | ||
| CHEMBL129089 | 215457 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| CHEMBL338981 | 218392 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 124213 | 117417 | 22 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 372 | 4 | 2 | 6 | 4.3 | COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 | 10.1016/S0960-894X(01)80905-7 | ||
| CHEMBL325752 | 117417 | 22 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 372 | 4 | 2 | 6 | 4.3 | COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 | 10.1016/S0960-894X(01)80905-7 | ||
| 10324995 | 171112 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NCCc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL421248 | 171112 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NCCc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL395290 | 219263 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | 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)N2CCCC[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.ejmech.2006.12.016 | ||||
| 44272997 | 78496 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](N)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL19658 | 78496 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](N)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 44352455 | 175409 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 701 | 12 | 4 | 8 | 1.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL436189 | 175409 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 701 | 12 | 4 | 8 | 1.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 9997556 | 125222 | 1 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 343 | 2 | 0 | 2 | 3.6 | O=S(=O)(c1ccc(F)cc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL341108 | 125222 | 1 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 343 | 2 | 0 | 2 | 3.6 | O=S(=O)(c1ccc(F)cc1)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm00099a020 | ||
| CHEMBL405289 | 219333 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| CHEMBL435159 | 220441 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | 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)N2Cc3ccccc3C[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.ejmech.2006.12.016 | ||||
| 11758421 | 106444 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 609 | 6 | 1 | 8 | 4.1 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cnc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL284442 | 106444 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 609 | 6 | 1 | 8 | 4.1 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cnc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL395430 | 219266 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | 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)NC(C)(C)C(=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.ejmech.2006.12.016 | ||||
| 44351004 | 26210 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 2 | 0 | 2 | 4.4 | CC1(C)C2CC[C@@]1(CC(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL129513 | 26210 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 2 | 0 | 2 | 4.4 | CC1(C)C2CC[C@@]1(CC(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| 44351157 | 25968 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 433 | 3 | 0 | 3 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(Cl)ccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL128978 | 25968 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 433 | 3 | 0 | 3 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(Cl)ccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| 44351065 | 124860 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 433 | 3 | 0 | 3 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(Cl)cc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL340588 | 124860 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 433 | 3 | 0 | 3 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(Cl)cc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| 44351251 | 25057 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 440 | 4 | 1 | 4 | 3.8 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC#N)C2 | 10.1021/jm00099a020 | ||
| CHEMBL127049 | 25057 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 440 | 4 | 1 | 4 | 3.8 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC#N)C2 | 10.1021/jm00099a020 | ||
| 10026274 | 28192 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 440 | 4 | 1 | 4 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC#N)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131499 | 28192 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 440 | 4 | 1 | 4 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC#N)C2 | 10.1021/jm00077a002 | ||
| 44351204 | 124085 | 1 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL339681 | 124085 | 1 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm00099a020 | ||
| 44429300 | 93794 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1035 | 18 | 11 | 14 | -1.3 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)(C)C)NC2=O)cc1 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL232501 | 93794 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1035 | 18 | 11 | 14 | -1.3 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)(C)C)NC2=O)cc1 | 10.1016/j.ejmech.2006.12.016 | ||
| 10030443 | 123539 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 4.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1ccncc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL337615 | 123539 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 4.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1ccncc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2369136 | 216375 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)c2c(C)cc(OC)cc2C)NC(=O)[C@H](N)C(C)(C)SSC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)NCCCC[C@H](C(=O)NCC(N)=O)NC(=O)[C@H]3CCCN3C2=O)NC1=O | 10.1021/jm0303103 | ||||
| CHEMBL2112250 | 216016 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44352427 | 123592 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 637 | 10 | 4 | 6 | 3.2 | CC(C)[C@H](NC(=O)Cc1c[nH]cn1)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL337889 | 123592 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 637 | 10 | 4 | 6 | 3.2 | CC(C)[C@H](NC(=O)Cc1c[nH]cn1)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL435021 | 220440 | 2 | None | 1 | 2 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10437668 | 85655 | 1 | None | 6 | 2 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112903 | 85655 | 1 | None | 6 | 2 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 2249 | 9008 | 18 | None | 2 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 9872389 | 9008 | 18 | None | 2 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| CHEMBL1253853 | 9008 | 18 | None | 2 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 44429295 | 175729 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1110 | 19 | 10 | 14 | -0.1 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(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 | 10.1016/j.ejmech.2006.12.016 | ||
| CHEMBL438849 | 175729 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1110 | 19 | 10 | 14 | -0.1 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](C(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(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 | 10.1016/j.ejmech.2006.12.016 | ||
| 44352114 | 28836 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 517 | 8 | 3 | 5 | 2.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCCO)C2 | 10.1021/jm00077a002 | ||
| CHEMBL132165 | 28836 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 517 | 8 | 3 | 5 | 2.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCCO)C2 | 10.1021/jm00077a002 | ||
| 9981665 | 125255 | 4 | None | 1 | 6 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341339 | 125255 | 4 | None | 1 | 6 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm00077a002 | ||
| 44352400 | 25677 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1ccccn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128423 | 25677 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1ccccn1)C2 | 10.1021/jm00077a002 | ||
| 10413998 | 25820 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128879 | 25820 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 10341722 | 17148 | 3 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 414 | 5 | 1 | 7 | 4.8 | COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 | 10.1016/S0960-894X(01)80905-7 | ||
| CHEMBL116226 | 17148 | 3 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 414 | 5 | 1 | 7 | 4.8 | COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 | 10.1016/S0960-894X(01)80905-7 | ||
| 16736614 | 155816 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 975 | 16 | 10 | 13 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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.ejmech.2006.12.016 | ||
| CHEMBL394268 | 155816 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 975 | 16 | 10 | 13 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=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.ejmech.2006.12.016 | ||
| 44351033 | 24851 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 475 | 4 | 0 | 3 | 5.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)C(c3ccccc3)C1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL126708 | 24851 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 475 | 4 | 0 | 3 | 5.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)C(c3ccccc3)C1)C(=O)C2 | 10.1021/jm00099a020 | ||
| 71456175 | 85270 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 363 | 2 | 0 | 2 | 4.4 | CC1(C)C2CC[C@]1(CC(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL2111847 | 85270 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 363 | 2 | 0 | 2 | 4.4 | CC1(C)C2CC[C@]1(CC(=O)N1CCC3(C=Cc4ccccc43)CC1)C(=O)C2 | 10.1021/jm00099a020 | ||
| CHEMBL2112654 | 216022 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44351248 | 123689 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 6 | 1 | 5 | 4.1 | CCOC(=O)C(C)[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL338409 | 123689 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 6 | 1 | 5 | 4.1 | CCOC(=O)C(C)[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00099a020 | ||
| 44273013 | 106246 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 543 | 7 | 2 | 6 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCO)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL283126 | 106246 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 543 | 7 | 2 | 6 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCO)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 14981574 | 85649 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1021/jm00031a004 | ||
| CHEMBL2112898 | 85649 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1021/jm00031a004 | ||
| 10483105 | 97455 | 1 | None | - | 4 | Rat | 8.0 | pIC50 | = | 8.0 | 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 | - | 4 | Rat | 8.0 | pIC50 | = | 8.0 | 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 | ||
| 44352372 | 27414 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 558 | 9 | 4 | 6 | 1.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130848 | 27414 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 558 | 9 | 4 | 6 | 1.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| 44352141 | 28222 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 501 | 7 | 2 | 5 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](C(=O)[C@H](N)CC(N)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131538 | 28222 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 501 | 7 | 2 | 5 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](C(=O)[C@H](N)CC(N)=O)C2 | 10.1021/jm00077a002 | ||
| 10347587 | 171807 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 8 | 3 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL422612 | 171807 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 8 | 3 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 10030231 | 25688 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 541 | 6 | 1 | 4 | 4.5 | CC(C)CC1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| CHEMBL128489 | 25688 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 541 | 6 | 1 | 4 | 4.5 | CC(C)CC1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| 10097994 | 123046 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 514 | 5 | 3 | 4 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C1CNC(=O)N1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL335876 | 123046 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 514 | 5 | 3 | 4 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C1CNC(=O)N1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2112650 | 216020 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10256281 | 25676 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 524 | 7 | 2 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128422 | 25676 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 524 | 7 | 2 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 10414380 | 122843 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccccn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL335634 | 122843 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccccn1)C2 | 10.1021/jm00077a002 | ||
| 10392781 | 125055 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 4.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1cccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340964 | 125055 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 4.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1cccnc1)C2 | 10.1021/jm00077a002 | ||
| 44350979 | 124593 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 415 | 3 | 1 | 3 | 3.8 | C[C@H]1C2CC[C@@](CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)([C@@H]1O)C2(C)C | 10.1021/jm00099a020 | ||
| CHEMBL340237 | 124593 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 415 | 3 | 1 | 3 | 3.8 | C[C@H]1C2CC[C@@](CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)([C@@H]1O)C2(C)C | 10.1021/jm00099a020 | ||
| 90663156 | 113383 | 0 | None | - | 1 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 1377 | 36 | 13 | 17 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||
| CHEMBL3142545 | 113383 | 0 | None | - | 1 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 1377 | 36 | 13 | 17 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||
| CHEMBL3142790 | 113383 | 0 | None | - | 1 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 1377 | 36 | 13 | 17 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||
| 136961688 | 125371 | 0 | None | 14 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 1206 | 23 | 5 | 13 | 7.4 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCNC(=O)CCc2ccc(S(=O)(=O)N(CC(=O)N/N=C3\C(=O)Nc4ccccc43)c3ccc(Cl)cc3)cc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| CHEMBL3416750 | 125371 | 0 | None | 14 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 1206 | 23 | 5 | 13 | 7.4 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCNC(=O)CCc2ccc(S(=O)(=O)N(CC(=O)N/N=C3\C(=O)Nc4ccccc43)c3ccc(Cl)cc3)cc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| 118753720 | 127651 | 0 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 1051 | 28 | 4 | 17 | 6.7 | COc1ccc(-n2c(COCCOCCOCCOCCNC(=O)CCCCCNC(=O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1021/jm501395b | ||
| CHEMBL3416751 | 127651 | 0 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 1051 | 28 | 4 | 17 | 6.7 | COc1ccc(-n2c(COCCOCCOCCOCCNC(=O)CCCCCNC(=O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1021/jm501395b | ||
| CHEMBL3559144 | 127651 | 0 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 1051 | 28 | 4 | 17 | 6.7 | COc1ccc(-n2c(COCCOCCOCCOCCNC(=O)CCCCCNC(=O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1021/jm501395b | ||
| 145947419 | 174436 | 0 | None | 323 | 2 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 1204 | 30 | 2 | 18 | 7.6 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| CHEMBL3416753 | 174436 | 0 | None | 323 | 2 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 1204 | 30 | 2 | 18 | 7.6 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| CHEMBL4301807 | 174436 | 0 | None | 323 | 2 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 1204 | 30 | 2 | 18 | 7.6 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| 136961687 | 125370 | 0 | None | 35 | 3 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 1053 | 21 | 7 | 12 | 6.4 | O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCCNC(=O)CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm501395b | ||
| CHEMBL3416749 | 125370 | 0 | None | 35 | 3 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 1053 | 21 | 7 | 12 | 6.4 | O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCCNC(=O)CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm501395b | ||
| 145947801 | 174492 | 0 | None | 190 | 2 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1381 | 42 | 2 | 22 | 7.7 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| CHEMBL3416754 | 174492 | 0 | None | 190 | 2 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1381 | 42 | 2 | 22 | 7.7 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| CHEMBL4302530 | 174492 | 0 | None | 190 | 2 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1381 | 42 | 2 | 22 | 7.7 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| 44324579 | 103811 | 0 | None | - | 1 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1157 | 31 | 15 | 14 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(C)(C)S | 10.1021/jm00014a022 | ||
| CHEMBL266898 | 103811 | 0 | None | - | 1 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1157 | 31 | 15 | 14 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(C)(C)S | 10.1021/jm00014a022 | ||
| 10011419 | 122170 | 0 | None | 1 | 3 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350125 | 122170 | 0 | None | 1 | 3 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 118718384 | 122124 | 0 | None | 7 | 3 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1154 | 18 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349465 | 122124 | 0 | None | 7 | 3 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1154 | 18 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 56671727 | 70012 | 0 | None | - | 1 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 1101 | 29 | 15 | 14 | -2.5 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)[C@@H](C)O | 10.1021/jm00014a022 | ||
| CHEMBL1790762 | 70012 | 0 | None | - | 1 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 1101 | 29 | 15 | 14 | -2.5 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)[C@@H](C)O | 10.1021/jm00014a022 | ||
| 90669116 | 116501 | 0 | None | 2 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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/jm00187a002 | ||
| CHEMBL3229632 | 116501 | 0 | None | 2 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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/jm00187a002 | ||
| 90669116 | 116501 | 0 | None | -2 | 2 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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/jm00200a007 | ||
| CHEMBL3229632 | 116501 | 0 | None | -2 | 2 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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/jm00200a007 | ||
| 90669121 | 116506 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1032 | 15 | 11 | 14 | -0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| CHEMBL3229637 | 116506 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1032 | 15 | 11 | 14 | -0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| 44324578 | 103363 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1129 | 31 | 15 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| CHEMBL263153 | 103363 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1129 | 31 | 15 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| 10463677 | 122127 | 1 | None | 38 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 991 | 15 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349468 | 122127 | 1 | None | 38 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 991 | 15 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 90669124 | 116509 | 0 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 1048 | 18 | 11 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00191a019 | ||
| CHEMBL3229640 | 116509 | 0 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 1048 | 18 | 11 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00191a019 | ||
| CHEMBL2370976 | 216751 | 10 | None | -2 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00010a020 | ||||
| 71312201 | 122165 | 12 | None | 1 | 2 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1074 | 19 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350118 | 122165 | 12 | None | 1 | 2 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1074 | 19 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 118718751 | 122168 | 0 | None | -1 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350123 | 122168 | 0 | None | -1 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3245748 | 218037 | 1 | None | -4 | 3 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C(C)(C)SSC[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/jm00187a002 | ||||
| CHEMBL3245748 | 218037 | 1 | None | -4 | 3 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C(C)(C)SSC[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/jm00200a007 | ||||
| 44324625 | 175816 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1129 | 31 | 15 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| CHEMBL439482 | 175816 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1129 | 31 | 15 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| 118718383 | 122123 | 0 | None | 16 | 3 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349464 | 122123 | 0 | None | 16 | 3 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 44320759 | 167554 | 0 | None | 8 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1036 | 22 | 12 | 15 | -4.4 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm00028a008 | ||
| CHEMBL411420 | 167554 | 0 | None | 8 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1036 | 22 | 12 | 15 | -4.4 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm00028a008 | ||
| 90669121 | 116506 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1032 | 15 | 11 | 14 | -0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| CHEMBL3229637 | 116506 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1032 | 15 | 11 | 14 | -0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| 90669122 | 116507 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1033 | 18 | 10 | 14 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)SSC[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/jm00191a019 | ||
| CHEMBL3229638 | 116507 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1033 | 18 | 10 | 14 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)SSC[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/jm00191a019 | ||
| 90669118 | 116503 | 0 | None | -1 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1047 | 19 | 11 | 14 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[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/jm00191a019 | ||
| CHEMBL3229634 | 116503 | 0 | None | -1 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1047 | 19 | 11 | 14 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[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/jm00191a019 | ||
| 90669123 | 116508 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1006 | 16 | 10 | 14 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| CHEMBL3229639 | 116508 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1006 | 16 | 10 | 14 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| 44324596 | 104025 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1129 | 31 | 15 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| CHEMBL268779 | 104025 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1129 | 31 | 15 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| 118718748 | 122164 | 0 | None | 1 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1126 | 19 | 13 | 14 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350116 | 122164 | 0 | None | 1 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1126 | 19 | 13 | 14 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 44320761 | 148245 | 0 | None | 1 | 2 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1110 | 20 | 13 | 15 | -3.2 | CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00028a008 | ||
| CHEMBL384292 | 148245 | 0 | None | 1 | 2 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1110 | 20 | 13 | 15 | -3.2 | CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00028a008 | ||
| CHEMBL3245750 | 218038 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C(C)(C)SSC[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](CC(C)C)NC1=O | 10.1021/jm00187a002 | ||||
| 90669122 | 116507 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1033 | 18 | 10 | 14 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)SSC[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/jm00191a019 | ||
| CHEMBL3229638 | 116507 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1033 | 18 | 10 | 14 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)SSC[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/jm00191a019 | ||
| 44321134 | 119339 | 0 | None | 45 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 963 | 16 | 9 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| CHEMBL330022 | 119339 | 0 | None | 45 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 963 | 16 | 9 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| 44294474 | 103787 | 0 | None | -1 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL266643 | 103787 | 0 | None | -1 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 118718386 | 122126 | 0 | None | 12 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 991 | 14 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349467 | 122126 | 0 | None | 12 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 991 | 14 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 90678222 | 118201 | 0 | None | - | 1 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSSCC[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/jm00224a010 | ||
| CHEMBL3273609 | 118201 | 0 | None | - | 1 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSSCC[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/jm00224a010 | ||
| 90669119 | 116504 | 0 | None | - | 1 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1020 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| CHEMBL3229635 | 116504 | 0 | None | - | 1 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1020 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| 70693566 | 85145 | 0 | None | 2 | 2 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 1018 | 18 | 12 | 14 | -4.5 | CC[C@H](C)[C@H]1NC(=O)[C@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| CHEMBL2110297 | 85145 | 0 | None | 2 | 2 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 1018 | 18 | 12 | 14 | -4.5 | CC[C@H](C)[C@H]1NC(=O)[C@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| 118753721 | 127652 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1227 | 40 | 4 | 21 | 6.8 | COc1ccc(-n2c(COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCNC(=O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1021/jm501395b | ||
| CHEMBL3416752 | 127652 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1227 | 40 | 4 | 21 | 6.8 | COc1ccc(-n2c(COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCNC(=O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1021/jm501395b | ||
| CHEMBL3559145 | 127652 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1227 | 40 | 4 | 21 | 6.8 | COc1ccc(-n2c(COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCNC(=O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 | 10.1021/jm501395b | ||
| 44320718 | 175673 | 0 | None | 1 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1139 | 22 | 12 | 15 | -2.5 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00028a008 | ||
| CHEMBL438387 | 175673 | 0 | None | 1 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1139 | 22 | 12 | 15 | -2.5 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00028a008 | ||
| CHEMBL3350121 | 218244 | 0 | None | - | 1 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||||
| 118718383 | 122123 | 0 | None | 16 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349464 | 122123 | 0 | None | 16 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 118718753 | 122171 | 0 | None | 1 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1074 | 18 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350126 | 122171 | 0 | None | 1 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1074 | 18 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 90669123 | 116508 | 0 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1006 | 16 | 10 | 14 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| CHEMBL3229639 | 116508 | 0 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1006 | 16 | 10 | 14 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| 118718385 | 122125 | 0 | None | 251 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349466 | 122125 | 0 | None | 251 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 10396464 | 122128 | 1 | None | 8 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1154 | 19 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349469 | 122128 | 1 | None | 8 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1154 | 19 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 90669116 | 116501 | 0 | None | -2 | 2 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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/jm00191a019 | ||
| CHEMBL3229632 | 116501 | 0 | None | -2 | 2 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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/jm00191a019 | ||
| 90669120 | 116505 | 1 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1059 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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/jm00191a019 | ||
| CHEMBL3229636 | 116505 | 1 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1059 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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/jm00191a019 | ||
| CHEMBL2372311 | 216993 | 7 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | None | None | None | COc1ccc(C[C@@H]2NC(=O)CC(C)(C)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00191a019 | ||||
| 90669124 | 116509 | 0 | None | - | 1 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 1048 | 18 | 11 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00191a019 | ||
| CHEMBL3229640 | 116509 | 0 | None | - | 1 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 1048 | 18 | 11 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00191a019 | ||
| 118718751 | 122168 | 0 | None | -1 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350123 | 122168 | 0 | None | -1 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| 118718386 | 122126 | 0 | None | 12 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 991 | 14 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349467 | 122126 | 0 | None | 12 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 991 | 14 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 90669117 | 116502 | 1 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 992 | 15 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00200a007 | ||
| CHEMBL3229633 | 116502 | 1 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 992 | 15 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00200a007 | ||
| 118718752 | 122169 | 0 | None | 1 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350124 | 122169 | 0 | None | 1 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| 56678404 | 70104 | 0 | None | -1 | 2 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 1060 | 20 | 12 | 14 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm00028a008 | ||
| CHEMBL1793955 | 70104 | 0 | None | -1 | 2 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 1060 | 20 | 12 | 14 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm00028a008 | ||
| 44321188 | 168685 | 0 | None | 1 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1105 | 22 | 12 | 15 | -2.7 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm00028a008 | ||
| CHEMBL415230 | 168685 | 0 | None | 1 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1105 | 22 | 12 | 15 | -2.7 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm00028a008 | ||
| 90669118 | 116503 | 0 | None | -1 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1047 | 19 | 11 | 14 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[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/jm00191a019 | ||
| CHEMBL3229634 | 116503 | 0 | None | -1 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1047 | 19 | 11 | 14 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[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/jm00191a019 | ||
| 118718748 | 122164 | 0 | None | 1 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1126 | 19 | 13 | 14 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350116 | 122164 | 0 | None | 1 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1126 | 19 | 13 | 14 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL2370976 | 216751 | 10 | None | -2 | 3 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00010a020 | ||||
| 71312201 | 122165 | 12 | None | 1 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 1074 | 19 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350118 | 122165 | 12 | None | 1 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 1074 | 19 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 90669117 | 116502 | 1 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 992 | 15 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| CHEMBL3229633 | 116502 | 1 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 992 | 15 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| 44324600 | 175762 | 0 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 1157 | 32 | 16 | 14 | -2.4 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| CHEMBL439098 | 175762 | 0 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 1157 | 32 | 16 | 14 | -2.4 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| CHEMBL3245748 | 218037 | 1 | None | 4 | 3 | Chicken | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C(C)(C)SSC[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/jm00201a017 | ||||
| 90669117 | 116502 | 1 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 992 | 15 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00187a002 | ||
| CHEMBL3229633 | 116502 | 1 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 992 | 15 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00187a002 | ||
| 118718747 | 122163 | 0 | None | 2 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1126 | 19 | 13 | 14 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350115 | 122163 | 0 | None | 2 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1126 | 19 | 13 | 14 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 90669117 | 116502 | 1 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 992 | 15 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00200a007 | ||
| CHEMBL3229633 | 116502 | 1 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 992 | 15 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00200a007 | ||
| CHEMBL3229641 | 218015 | 0 | None | - | 1 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | None | None | None | COc1ccc(C[C@@H]2NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=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)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00191a019 | ||||
| 118718753 | 122171 | 0 | None | 1 | 3 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1074 | 18 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350126 | 122171 | 0 | None | 1 | 3 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1074 | 18 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 70693557 | 85131 | 0 | None | 6 | 2 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 1018 | 18 | 12 | 14 | -4.5 | CC[C@H](C)[C@H]1NC(=O)[C@@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| CHEMBL2110163 | 85131 | 0 | None | 6 | 2 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 1018 | 18 | 12 | 14 | -4.5 | CC[C@H](C)[C@H]1NC(=O)[C@@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| 90669120 | 116505 | 1 | None | - | 1 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1059 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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/jm00187a002 | ||
| CHEMBL3229636 | 116505 | 1 | None | - | 1 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1059 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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/jm00187a002 | ||
| 90669120 | 116505 | 1 | None | - | 1 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1059 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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/jm00200a007 | ||
| CHEMBL3229636 | 116505 | 1 | None | - | 1 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1059 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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/jm00200a007 | ||
| 90669120 | 116505 | 1 | None | - | 1 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1059 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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/jm00200a007 | ||
| CHEMBL3229636 | 116505 | 1 | None | - | 1 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1059 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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/jm00200a007 | ||
| 118718749 | 122166 | 0 | None | -1 | 3 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350119 | 122166 | 0 | None | -1 | 3 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| 44373715 | 162480 | 0 | None | 131 | 2 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1031 | 20 | 13 | 14 | -4.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| CHEMBL405165 | 162480 | 0 | None | 131 | 2 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1031 | 20 | 13 | 14 | -4.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| 118718384 | 122124 | 0 | None | 7 | 3 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1154 | 18 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349465 | 122124 | 0 | None | 7 | 3 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1154 | 18 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 44324574 | 103644 | 0 | None | - | 1 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 1114 | 30 | 15 | 14 | -3.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| CHEMBL265490 | 103644 | 0 | None | - | 1 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 1114 | 30 | 15 | 14 | -3.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| CHEMBL2370617 | 216666 | 0 | None | 1 | 3 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00010a020 | ||||
| CHEMBL2370617 | 216666 | 0 | None | 1 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00010a020 | ||||
| 90669119 | 116504 | 0 | None | - | 1 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1020 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| CHEMBL3229635 | 116504 | 0 | None | - | 1 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1020 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| 10011419 | 122170 | 0 | None | 1 | 3 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350125 | 122170 | 0 | None | 1 | 3 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 44324601 | 148637 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1129 | 31 | 15 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| CHEMBL386547 | 148637 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1129 | 31 | 15 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| 44294474 | 103787 | 0 | None | -1 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL266643 | 103787 | 0 | None | -1 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 118718747 | 122163 | 0 | None | 2 | 2 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1126 | 19 | 13 | 14 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350115 | 122163 | 0 | None | 2 | 2 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1126 | 19 | 13 | 14 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 10396464 | 122128 | 1 | None | 8 | 2 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1154 | 19 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349469 | 122128 | 1 | None | 8 | 2 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1154 | 19 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 10463677 | 122127 | 1 | None | 38 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 991 | 15 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349468 | 122127 | 1 | None | 38 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 991 | 15 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 90673598 | 117279 | 0 | None | - | 1 | Chicken | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 957 | 17 | 12 | 12 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)NCCCC[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/jm00201a017 | ||
| CHEMBL3249128 | 117279 | 0 | None | - | 1 | Chicken | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 957 | 17 | 12 | 12 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)NCCCC[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/jm00201a017 | ||
| 90669118 | 116503 | 0 | None | 1 | 2 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 1047 | 19 | 11 | 14 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[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/jm00187a002 | ||
| CHEMBL3229634 | 116503 | 0 | None | 1 | 2 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 1047 | 19 | 11 | 14 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[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/jm00187a002 | ||
| 118718750 | 122167 | 0 | None | -8 | 2 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350120 | 122167 | 0 | None | -8 | 2 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| 118718752 | 122169 | 0 | None | 1 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350124 | 122169 | 0 | None | 1 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL2371240 | 216805 | 0 | None | - | 1 | Human | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||||
| 44324577 | 103218 | 0 | None | - | 1 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 1128 | 31 | 15 | 14 | -2.6 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| CHEMBL262157 | 103218 | 0 | None | - | 1 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 1128 | 31 | 15 | 14 | -2.6 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| CHEMBL3350121 | 218244 | 0 | None | - | 1 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||||
| 90669117 | 116502 | 1 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 992 | 15 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| CHEMBL3229633 | 116502 | 1 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 992 | 15 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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]([C@@H](C)O)NC1=O | 10.1021/jm00191a019 | ||
| 44324597 | 104024 | 0 | None | - | 1 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 1129 | 31 | 15 | 14 | -2.0 | CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| CHEMBL268778 | 104024 | 0 | None | - | 1 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 1129 | 31 | 15 | 14 | -2.0 | CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| 44373714 | 103493 | 0 | None | -1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1148 | 32 | 14 | 16 | -3.1 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O | 10.1016/s0960-894x(99)00041-4 | ||
| CHEMBL264208 | 103493 | 0 | None | -1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1148 | 32 | 14 | 16 | -3.1 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O | 10.1016/s0960-894x(99)00041-4 | ||
| 44321189 | 105014 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1017 | 20 | 14 | 14 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| CHEMBL274397 | 105014 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1017 | 20 | 14 | 14 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| 118718749 | 122166 | 0 | None | -1 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350119 | 122166 | 0 | None | -1 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(99)00041-4 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(99)00041-4 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(99)00041-4 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(99)00041-4 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(99)00041-4 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(99)00041-4 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00028a008 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00028a008 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00028a008 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00028a008 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00028a008 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00028a008 | ||||
| 90678222 | 118201 | 0 | None | - | 1 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSSCC[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/jm00224a010 | ||
| CHEMBL3273609 | 118201 | 0 | None | - | 1 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSSCC[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/jm00224a010 | ||
| 44321206 | 103578 | 0 | None | 13 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1094 | 20 | 12 | 14 | -2.9 | CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=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 | 10.1021/jm00028a008 | ||
| CHEMBL265017 | 103578 | 0 | None | 13 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1094 | 20 | 12 | 14 | -2.9 | CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=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 | 10.1021/jm00028a008 | ||
| 118718750 | 122167 | 0 | None | -8 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350120 | 122167 | 0 | None | -8 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| 90669120 | 116505 | 1 | None | - | 1 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 1059 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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/jm00191a019 | ||
| CHEMBL3229636 | 116505 | 1 | None | - | 1 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 1059 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[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/jm00191a019 | ||
| CHEMBL3245755 | 218039 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)(C)SSC[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/jm00187a002 | ||||
| 90669116 | 116501 | 0 | None | -2 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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/jm00200a007 | ||
| CHEMBL3229632 | 116501 | 0 | None | -2 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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/jm00200a007 | ||
| 90669116 | 116501 | 0 | None | -2 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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/jm00191a019 | ||
| CHEMBL3229632 | 116501 | 0 | None | -2 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 1019 | 17 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[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/jm00191a019 | ||
| 44324596 | 104025 | 0 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 1129 | 31 | 15 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| CHEMBL268779 | 104025 | 0 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 1129 | 31 | 15 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O | 10.1021/jm00014a022 | ||
| 44373744 | 57947 | 0 | None | 52 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 993 | 20 | 12 | 14 | -4.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| CHEMBL157988 | 57947 | 0 | None | 52 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 993 | 20 | 12 | 14 | -4.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| 44321133 | 168614 | 0 | None | 38 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1060 | 20 | 12 | 14 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| CHEMBL414582 | 168614 | 0 | None | 38 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1060 | 20 | 12 | 14 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| 44320760 | 213164 | 0 | None | 52 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 992 | 20 | 12 | 14 | -4.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| CHEMBL87636 | 213164 | 0 | None | 52 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 992 | 20 | 12 | 14 | -4.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| 90672304 | 117210 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 1203 | 19 | 11 | 14 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc(Br)c(O)c(Br)c2)NC(=O)CC(CC)(CC)SSC[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/jm00187a002 | ||
| CHEMBL3245753 | 117210 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 1203 | 19 | 11 | 14 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc(Br)c(O)c(Br)c2)NC(=O)CC(CC)(CC)SSC[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/jm00187a002 | ||
| CHEMBL2371240 | 216805 | 0 | None | - | 1 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||||
| 90672303 | 117209 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 1147 | 17 | 11 | 14 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc(Br)c(O)c(Br)c2)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/jm00187a002 | ||
| CHEMBL3245752 | 117209 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 1147 | 17 | 11 | 14 | -1.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc(Br)c(O)c(Br)c2)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/jm00187a002 | ||
| 118718385 | 122125 | 0 | None | 251 | 2 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349466 | 122125 | 0 | None | 251 | 2 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 90672302 | 117208 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 1033 | 18 | 10 | 13 | 0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[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](CC(C)C)NC1=O | 10.1021/jm00187a002 | ||
| CHEMBL3245751 | 117208 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 1033 | 18 | 10 | 13 | 0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[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](CC(C)C)NC1=O | 10.1021/jm00187a002 | ||
| CHEMBL3273606 | 218071 | 0 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSSCC[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/jm00224a010 | ||||
| 56950588 | 82117 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 518 | 7 | 1 | 5 | 2.8 | CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| CHEMBL2037514 | 82117 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 518 | 7 | 1 | 5 | 2.8 | CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| 11554957 | 82119 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 490 | 7 | 1 | 4 | 3.4 | CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| CHEMBL2037516 | 82119 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 490 | 7 | 1 | 4 | 3.4 | CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| 11570070 | 82120 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 532 | 7 | 1 | 5 | 3.1 | CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| CHEMBL2037517 | 82120 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 532 | 7 | 1 | 5 | 3.1 | CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| 11605341 | 82110 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 476 | 6 | 1 | 4 | 3.0 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1cnc(C)cc1C | 10.1021/jm201287w | ||
| CHEMBL2037507 | 82110 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 476 | 6 | 1 | 4 | 3.0 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1cnc(C)cc1C | 10.1021/jm201287w | ||
| 57722466 | 82111 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 2.8 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1cnc(C)cc1C | 10.1021/jm201287w | ||
| CHEMBL2037508 | 82111 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 2.8 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1cnc(C)cc1C | 10.1021/jm201287w | ||
| 11547430 | 82116 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 476 | 7 | 1 | 4 | 3.1 | CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| CHEMBL2037513 | 82116 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 476 | 7 | 1 | 4 | 3.1 | CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| 11691437 | 82118 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 3.0 | CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| CHEMBL2037515 | 82118 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 3.0 | CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| 56950040 | 82099 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 476 | 5 | 1 | 4 | 3.1 | Cc1ccc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)(C)C)cn1 | 10.1021/jm201287w | ||
| CHEMBL2037496 | 82099 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 476 | 5 | 1 | 4 | 3.1 | Cc1ccc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)(C)C)cn1 | 10.1021/jm201287w | ||
| 11669836 | 82109 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 462 | 6 | 2 | 4 | 2.6 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cnc(C)cc1C | 10.1021/jm201287w | ||
| CHEMBL2037506 | 82109 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 462 | 6 | 2 | 4 | 2.6 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cnc(C)cc1C | 10.1021/jm201287w | ||
| 56950041 | 82100 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 518 | 5 | 1 | 5 | 2.8 | Cc1ccc([C@H](C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)(C)C)cn1 | 10.1021/jm201287w | ||
| CHEMBL2037497 | 82100 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 518 | 5 | 1 | 5 | 2.8 | Cc1ccc([C@H](C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)(C)C)cn1 | 10.1021/jm201287w | ||
| 11719871 | 82113 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 476 | 6 | 1 | 4 | 3.0 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| CHEMBL2037510 | 82113 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 476 | 6 | 1 | 4 | 3.0 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| 11465834 | 145200 | 0 | None | 23 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm201287w | ||
| CHEMBL377414 | 145200 | 0 | None | 23 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm201287w | ||
| 56675150 | 70000 | 0 | None | 85 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1382 | 21 | 14 | 19 | -1.2 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc(C3=C4C=CC(N(C)C)=CC4OC4=CC(=[N+](C)C)C=CC43)c(C(=O)O)c2)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790723 | 70000 | 0 | None | 85 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1382 | 21 | 14 | 19 | -1.2 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc(C3=C4C=CC(N(C)C)=CC4OC4=CC(=[N+](C)C)C=CC43)c(C(=O)O)c2)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm010526+ | ||
| 11421025 | 161886 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 519 | 7 | 2 | 4 | 4.0 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)o1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL401960 | 161886 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 519 | 7 | 2 | 4 | 4.0 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)o1 | 10.1016/j.bmcl.2007.11.008 | ||
| 11576272 | 82115 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 462 | 7 | 2 | 4 | 2.7 | CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| CHEMBL2037512 | 82115 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 462 | 7 | 2 | 4 | 2.7 | CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| 11598736 | 84844 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 513 | 8 | 2 | 4 | 2.6 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)CCO)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| CHEMBL210029 | 84844 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 513 | 8 | 2 | 4 | 2.6 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)CCO)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| 11634973 | 82114 | 15 | None | 31622 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 2.8 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| CHEMBL2037511 | 82114 | 15 | None | 31622 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 2.8 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| 44456151 | 102413 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 520 | 7 | 2 | 5 | 3.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1coc(C(F)(F)F)n1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL257916 | 102413 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 520 | 7 | 2 | 5 | 3.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1coc(C(F)(F)F)n1 | 10.1016/j.bmcl.2007.11.008 | ||
| 56950167 | 82104 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 504 | 6 | 1 | 5 | 2.4 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| CHEMBL2037501 | 82104 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 504 | 6 | 1 | 5 | 2.4 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| 56657868 | 69995 | 0 | None | 69 | 3 | Human | 9.8 | pKi | = | 9.8 | 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 | 69 | 3 | Human | 9.8 | pKi | = | 9.8 | 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+ | ||
| 56671720 | 69997 | 0 | None | 67 | 3 | Human | 9.7 | pKi | = | 9.7 | 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 | 67 | 3 | Human | 9.7 | pKi | = | 9.7 | 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+ | ||
| 56950311 | 82102 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 462 | 6 | 1 | 4 | 2.7 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| CHEMBL2037499 | 82102 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 462 | 6 | 1 | 4 | 2.7 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| 56678446 | 69988 | 0 | None | 18 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1125 | 16 | 13 | 16 | -0.3 | CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790712 | 69988 | 0 | None | 18 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1125 | 16 | 13 | 16 | -0.3 | CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| 118734326 | 125373 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1203 | 19 | 13 | 17 | -1.3 | COc1ccc(C[C@@H]2NC(=O)C(N)C3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm501395b | ||
| CHEMBL3416758 | 125373 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1203 | 19 | 13 | 17 | -1.3 | COc1ccc(C[C@@H]2NC(=O)C(N)C3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm501395b | ||
| 56664849 | 69998 | 0 | None | 426 | 3 | Human | 9.6 | pKi | = | 9.6 | 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 | 426 | 3 | Human | 9.6 | pKi | = | 9.6 | 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+ | ||
| 56949758 | 82090 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 520 | 7 | 1 | 6 | 2.1 | COc1ccc([C@H](C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cn1 | 10.1021/jm201287w | ||
| CHEMBL2037487 | 82090 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 520 | 7 | 1 | 6 | 2.1 | COc1ccc([C@H](C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cn1 | 10.1021/jm201287w | ||
| 56949760 | 82092 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 2.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(N(C)C)nc1 | 10.1021/jm201287w | ||
| CHEMBL2037489 | 82092 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 2.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(N(C)C)nc1 | 10.1021/jm201287w | ||
| 56664848 | 69994 | 0 | None | 199 | 3 | Human | 9.5 | pKi | = | 9.5 | 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 | 199 | 3 | Human | 9.5 | pKi | = | 9.5 | 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+ | ||
| 53316559 | 63112 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1026 | 17 | 12 | 14 | -3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Se]SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL1630522 | 63112 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1026 | 17 | 12 | 14 | -3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Se]SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| 90663156 | 113383 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1377 | 36 | 13 | 17 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||
| CHEMBL3142545 | 113383 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1377 | 36 | 13 | 17 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||
| CHEMBL3142790 | 113383 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1377 | 36 | 13 | 17 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||
| 56950039 | 82093 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 533 | 7 | 1 | 6 | 2.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(N(C)C)nc1 | 10.1021/jm201287w | ||
| CHEMBL2037490 | 82093 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 533 | 7 | 1 | 6 | 2.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(N(C)C)nc1 | 10.1021/jm201287w | ||
| 56671723 | 70002 | 0 | None | 53 | 3 | Human | 9.5 | pKi | = | 9.5 | 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 | 53 | 3 | Human | 9.5 | pKi | = | 9.5 | 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+ | ||
| 449224 | 175754 | 12 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | 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 | 10.1016/j.bmc.2016.05.062 | ||
| CHEMBL439044 | 175754 | 12 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | 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 | 10.1016/j.bmc.2016.05.062 | ||
| 56657867 | 69993 | 0 | None | 40 | 3 | Human | 9.5 | pKi | = | 9.5 | 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 | 40 | 3 | Human | 9.5 | pKi | = | 9.5 | 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+ | ||
| 44456352 | 164895 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 468 | 6 | 1 | 5 | 2.7 | Cc1nc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cs1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL408691 | 164895 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 468 | 6 | 1 | 5 | 2.7 | Cc1nc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cs1 | 10.1016/j.bmcl.2007.11.008 | ||
| 11662784 | 146077 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 469 | 6 | 2 | 3 | 2.9 | CNC(=O)[C@@H](c1ccc(F)cc1F)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C | 10.1021/jm060073e | ||
| CHEMBL379192 | 146077 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 469 | 6 | 2 | 3 | 2.9 | CNC(=O)[C@@H](c1ccc(F)cc1F)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C | 10.1021/jm060073e | ||
| 56949757 | 82089 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 2.4 | COc1ccc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cn1 | 10.1021/jm201287w | ||
| CHEMBL2037486 | 82089 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 2.4 | COc1ccc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cn1 | 10.1021/jm201287w | ||
| 56949906 | 82095 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 504 | 6 | 1 | 5 | 2.4 | Cc1ccc([C@H](C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cn1 | 10.1021/jm201287w | ||
| CHEMBL2037492 | 82095 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 504 | 6 | 1 | 5 | 2.4 | Cc1ccc([C@H](C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cn1 | 10.1021/jm201287w | ||
| 11705315 | 82112 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 462 | 6 | 2 | 4 | 2.6 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| CHEMBL2037509 | 82112 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 462 | 6 | 2 | 4 | 2.6 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| 56657866 | 69987 | 0 | None | 75 | 3 | Human | 9.4 | pKi | = | 9.4 | 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 | 75 | 3 | Human | 9.4 | pKi | = | 9.4 | 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+ | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.05.062 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.05.062 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.05.062 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.05.062 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.05.062 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.05.062 | ||||
| 118734326 | 125373 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1203 | 19 | 13 | 17 | -1.3 | COc1ccc(C[C@@H]2NC(=O)C(N)C3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm501395b | ||
| CHEMBL3416758 | 125373 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1203 | 19 | 13 | 17 | -1.3 | COc1ccc(C[C@@H]2NC(=O)C(N)C3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm501395b | ||
| 10461270 | 10450 | 7 | None | 3 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | 3 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | 3 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | ||
| 44279520 | 106806 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 626 | 7 | 1 | 10 | 2.9 | O=C(Cn1ccc(N2CCOCC2)nc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL286895 | 106806 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 626 | 7 | 1 | 10 | 2.9 | O=C(Cn1ccc(N2CCOCC2)nc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 11590596 | 175695 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 455 | 6 | 2 | 3 | 2.6 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(N)=O)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| CHEMBL438609 | 175695 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 455 | 6 | 2 | 3 | 2.6 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(N)=O)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| 56949907 | 82096 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 488 | 6 | 1 | 4 | 3.2 | Cc1ccc([C@H](C(=O)N2CCCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cn1 | 10.1021/jm201287w | ||
| CHEMBL2037493 | 82096 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 488 | 6 | 1 | 4 | 3.2 | Cc1ccc([C@H](C(=O)N2CCCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cn1 | 10.1021/jm201287w | ||
| 56950043 | 82103 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 504 | 6 | 1 | 5 | 2.4 | CC[C@@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| CHEMBL2037500 | 82103 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 504 | 6 | 1 | 5 | 2.4 | CC[C@@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| 155536940 | 179027 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1074 | 20 | 12 | 15 | -2.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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/acs.jmedchem.8b01691 | ||
| CHEMBL4474284 | 179027 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1074 | 20 | 12 | 15 | -2.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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/acs.jmedchem.8b01691 | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 18700180 | 101594 | 0 | None | 1 | 2 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.2 | O=C(Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL25353 | 101594 | 0 | None | 1 | 2 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.2 | O=C(Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 90663155 | 113382 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1363 | 35 | 14 | 17 | 0.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||
| CHEMBL3142789 | 113382 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1363 | 35 | 14 | 17 | 0.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||
| 11340891 | 10094 | 30 | None | 891 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| 8403 | 10094 | 30 | None | 891 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| CHEMBL429736 | 10094 | 30 | None | 891 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| DB11818 | 10094 | 30 | None | 891 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| 11590614 | 86493 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 3.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)O)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| CHEMBL211556 | 86493 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 3.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)O)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| 11295207 | 145180 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 511 | 6 | 2 | 4 | 2.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CC(O)C1)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| CHEMBL377315 | 145180 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 511 | 6 | 2 | 4 | 2.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CC(O)C1)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| 11465834 | 145200 | 0 | None | 23 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| CHEMBL377414 | 145200 | 0 | None | 23 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| 11569527 | 145934 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 495 | 6 | 1 | 3 | 3.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCC1)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| CHEMBL378718 | 145934 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 495 | 6 | 1 | 3 | 3.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCC1)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| 11340891 | 10094 | 30 | None | 891 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| 8403 | 10094 | 30 | None | 891 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL429736 | 10094 | 30 | None | 891 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| DB11818 | 10094 | 30 | None | 891 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| 135413562 | 8986 | 15 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm050645f | ||
| 2194 | 8986 | 15 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm050645f | ||
| CHEMBL445816 | 8986 | 15 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm050645f | ||
| 135413562 | 8986 | 15 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| 2194 | 8986 | 15 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| CHEMBL445816 | 8986 | 15 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| 44297449 | 176039 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL441195 | 176039 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 118734326 | 125373 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1203 | 19 | 13 | 17 | -1.3 | COc1ccc(C[C@@H]2NC(=O)C(N)C3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm501395b | ||
| CHEMBL3416758 | 125373 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1203 | 19 | 13 | 17 | -1.3 | COc1ccc(C[C@@H]2NC(=O)C(N)C3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm501395b | ||
| 135413562 | 8986 | 15 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm050645f | ||
| 2194 | 8986 | 15 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm050645f | ||
| CHEMBL445816 | 8986 | 15 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm050645f | ||
| 135413562 | 8986 | 15 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| 2194 | 8986 | 15 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| CHEMBL445816 | 8986 | 15 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| 1103817 | 23776 | 13 | None | 3 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm901812z | ||
| CHEMBL1254117 | 23776 | 13 | None | 3 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm901812z | ||
| CHEMBL2112249 | 216015 | 1 | None | 8 | 2 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 9938406 | 100092 | 1 | None | 1 | 6 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24526 | 100092 | 1 | None | 1 | 6 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 53317550 | 63113 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1026 | 17 | 12 | 14 | -3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CS[Se]C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL1630523 | 63113 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1026 | 17 | 12 | 14 | -3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CS[Se]C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 44456194 | 102130 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 2.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1coc(C2CC2)n1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL256692 | 102130 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 2.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1coc(C2CC2)n1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44455964 | 104332 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 529 | 7 | 2 | 4 | 3.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(Br)o1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL270624 | 104332 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 529 | 7 | 2 | 4 | 3.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(Br)o1 | 10.1016/j.bmcl.2007.11.008 | ||
| 25212177 | 181608 | 10 | None | 7 | 4 | Human | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | 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 | ||
| 56950170 | 82107 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 476 | 6 | 1 | 4 | 3.0 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1cc(C)cnc1C | 10.1021/jm201287w | ||
| CHEMBL2037504 | 82107 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 476 | 6 | 1 | 4 | 3.0 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1cc(C)cnc1C | 10.1021/jm201287w | ||
| 56950171 | 82108 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 2.8 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1cc(C)cnc1C | 10.1021/jm201287w | ||
| CHEMBL2037505 | 82108 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 2.8 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1cc(C)cnc1C | 10.1021/jm201287w | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2015.11.050 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2015.11.050 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2015.11.050 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2015.11.050 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2015.11.050 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2015.11.050 | ||||
| 10627984 | 210383 | 0 | None | 4 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 646 | 8 | 0 | 7 | 5.5 | CCc1c(CN2CCC(Oc3cc(OC)c(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)cc3F)CC2)c(C)cc(C)[n+]1[O-] | 10.1021/jm9800797 | ||
| CHEMBL66985 | 210383 | 0 | None | 4 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 646 | 8 | 0 | 7 | 5.5 | CCc1c(CN2CCC(Oc3cc(OC)c(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)cc3F)CC2)c(C)cc(C)[n+]1[O-] | 10.1021/jm9800797 | ||
| 10723001 | 109119 | 0 | None | 3 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 5.3 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL303700 | 109119 | 0 | None | 3 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 5.3 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 18700180 | 101594 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.2 | O=C(Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL25353 | 101594 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.2 | O=C(Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 2042 | 9757 | 58 | None | -1 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| 2174 | 9757 | 58 | None | -1 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| 2176 | 9757 | 58 | None | -1 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| 439302 | 9757 | 58 | None | -1 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| CHEMBL395429 | 9757 | 58 | None | -1 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| DB00107 | 9757 | 58 | None | -1 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| 135476004 | 85836 | 0 | None | 8 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 2.7 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1039/C5MD00566C | ||
| CHEMBL2113185 | 85836 | 0 | None | 8 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 2.7 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1039/C5MD00566C | ||
| 57346808 | 220448 | 2 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | 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/jm9607156 | ||||
| CHEMBL435716 | 220448 | 2 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | 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/jm9607156 | ||||
| 135491819 | 85835 | 0 | None | 104 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 597 | 12 | 4 | 7 | 2.4 | O=C(CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1)NCCCO | 10.1021/jm050645f | ||
| CHEMBL2113181 | 85835 | 0 | None | 104 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 597 | 12 | 4 | 7 | 2.4 | O=C(CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1)NCCCO | 10.1021/jm050645f | ||
| 135476004 | 85836 | 0 | None | 8 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 2.7 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113185 | 85836 | 0 | None | 8 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 2.7 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 155527198 | 177957 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1056 | 20 | 12 | 14 | -2.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[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/acs.jmedchem.8b01691 | ||
| CHEMBL4458988 | 177957 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1056 | 20 | 12 | 14 | -2.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[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/acs.jmedchem.8b01691 | ||
| CHEMBL3814744 | 219069 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | 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)[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.2016.05.062 | ||||
| 16051933 | 144908 | 4 | None | -4 | 8 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL376685 | 144908 | 4 | None | -4 | 8 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| DB00035 | 144908 | 4 | None | -4 | 8 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 10555563 | 108887 | 0 | None | 4 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 600 | 7 | 0 | 7 | 4.8 | COc1cc(OC2CCN(Cc3c(C)cc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL302297 | 108887 | 0 | None | 4 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 600 | 7 | 0 | 7 | 4.8 | COc1cc(OC2CCN(Cc3c(C)cc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10579886 | 110387 | 0 | None | 4 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 632 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL308673 | 110387 | 0 | None | 4 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 632 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 15840423 | 99973 | 0 | None | 1 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 601 | 9 | 0 | 6 | 5.6 | O=C(Cc1ccc(OC2CCN(CC3CC3)CC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24456 | 99973 | 0 | None | 1 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 601 | 9 | 0 | 6 | 5.6 | O=C(Cc1ccc(OC2CCN(CC3CC3)CC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 11340891 | 10094 | 30 | None | 891 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| 8403 | 10094 | 30 | None | 891 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL429736 | 10094 | 30 | None | 891 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| DB11818 | 10094 | 30 | None | 891 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| 11511019 | 84804 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 465 | 7 | 2 | 4 | 3.3 | Cc1ccc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)o1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL209864 | 84804 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 465 | 7 | 2 | 4 | 3.3 | Cc1ccc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)o1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44456383 | 102339 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 545 | 7 | 2 | 4 | 4.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1cc(Br)cs1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL257660 | 102339 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 545 | 7 | 2 | 4 | 4.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1cc(Br)cs1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44279572 | 109533 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 617 | 7 | 1 | 8 | 4.7 | O=C(Cn1ccc(-c2ccccc2)nc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL30510 | 109533 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 617 | 7 | 1 | 8 | 4.7 | O=C(Cn1ccc(-c2ccccc2)nc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 11488952 | 84359 | 0 | None | 31 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 501 | 7 | 2 | 4 | 4.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc2occc2c1 | 10.1021/jm060073e | ||
| CHEMBL208787 | 84359 | 0 | None | 31 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 501 | 7 | 2 | 4 | 4.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc2occc2c1 | 10.1021/jm060073e | ||
| 56950042 | 82101 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 462 | 6 | 1 | 4 | 2.7 | CC[C@@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| CHEMBL2037498 | 82101 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 462 | 6 | 1 | 4 | 2.7 | CC[C@@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)nc1 | 10.1021/jm201287w | ||
| 56950168 | 82105 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 478 | 6 | 1 | 4 | 1.9 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)[n+]([O-])c1 | 10.1021/jm201287w | ||
| CHEMBL2037502 | 82105 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 478 | 6 | 1 | 4 | 1.9 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)[n+]([O-])c1 | 10.1021/jm201287w | ||
| 44428107 | 17089 | 0 | None | -11 | 3 | Human | 9.0 | pKi | = | 9.0 | 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 | -11 | 3 | Human | 9.0 | pKi | = | 9.0 | 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 | -11 | 3 | Human | 9.0 | pKi | = | 9.0 | 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 | ||
| CHEMBL3813894 | 219061 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | 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](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 135493119 | 85844 | 0 | None | 4 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 569 | 11 | 2 | 7 | 3.3 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| CHEMBL2113201 | 85844 | 0 | None | 4 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 569 | 11 | 2 | 7 | 3.3 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| 56665480 | 69982 | 0 | None | 91 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 754 | 6 | 2 | 8 | 3.5 | CC[C@@H](C)[C@@H]1/N=C(\S)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||
| CHEMBL1790544 | 69982 | 0 | None | 91 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 754 | 6 | 2 | 8 | 3.5 | CC[C@@H](C)[C@@H]1/N=C(\S)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||
| 10531717 | 109736 | 0 | None | 4 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 604 | 7 | 0 | 7 | 4.6 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL306416 | 109736 | 0 | None | 4 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 604 | 7 | 0 | 7 | 4.6 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 135493119 | 85844 | 0 | None | 4 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 569 | 11 | 2 | 7 | 3.3 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113201 | 85844 | 0 | None | 4 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 569 | 11 | 2 | 7 | 3.3 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 76073634 | 122634 | 3 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | 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/acs.jmedchem.8b01691 | ||
| CHEMBL3354594 | 122634 | 3 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | 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/acs.jmedchem.8b01691 | ||
| 44275447 | 103198 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | 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 | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | 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 | ||
| 2168 | 10748 | 38 | None | -6 | 9 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 2810 | 10748 | 38 | None | -6 | 9 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 644077 | 10748 | 38 | None | -6 | 9 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| CHEMBL373742 | 10748 | 38 | None | -6 | 9 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| DB00067 | 10748 | 38 | None | -6 | 9 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 10556286 | 211115 | 0 | None | 10 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 5.3 | COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL71540 | 211115 | 0 | None | 10 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 5.3 | COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 15840423 | 99973 | 0 | None | -1 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 601 | 9 | 0 | 6 | 5.6 | O=C(Cc1ccc(OC2CCN(CC3CC3)CC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24456 | 99973 | 0 | None | -1 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 601 | 9 | 0 | 6 | 5.6 | O=C(Cc1ccc(OC2CCN(CC3CC3)CC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 44275525 | 201645 | 0 | None | -16 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]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 | -16 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]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 | -16 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]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 | ||
| 2239 | 7863 | 1 | None | 501 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| 6918854 | 7863 | 1 | None | 501 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL196478 | 7863 | 1 | None | 501 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| 44456109 | 102067 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 482 | 8 | 2 | 6 | 1.6 | Cc1nc([C@H](C(=O)N(C)CCO)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL256391 | 102067 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 482 | 8 | 2 | 6 | 1.6 | Cc1nc([C@H](C(=O)N(C)CCO)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44456004 | 104531 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 479 | 7 | 2 | 4 | 3.6 | Cc1cc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)oc1C | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL271657 | 104531 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 479 | 7 | 2 | 4 | 3.6 | Cc1cc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)oc1C | 10.1016/j.bmcl.2007.11.008 | ||
| 44456229 | 161876 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 2.7 | Cc1nc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL401910 | 161876 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 2.7 | Cc1nc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44279607 | 106639 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 595 | 6 | 1 | 10 | 3.0 | Cn1ncc2c(=O)n(CC(=O)NCc3cc4cc(C(=O)N5CCC(N6C(=O)OCc7ccccc76)CC5)ccc4o3)cnc21 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL285820 | 106639 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 595 | 6 | 1 | 10 | 3.0 | Cn1ncc2c(=O)n(CC(=O)NCc3cc4cc(C(=O)N5CCC(N6C(=O)OCc7ccccc76)CC5)ccc4o3)cnc21 | 10.1016/s0960-894x(02)00160-9 | ||
| 2239 | 7863 | 1 | None | 501 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| 6918854 | 7863 | 1 | None | 501 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| CHEMBL196478 | 7863 | 1 | None | 501 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| 2239 | 7863 | 1 | None | 501 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm060073e | ||
| 6918854 | 7863 | 1 | None | 501 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm060073e | ||
| CHEMBL196478 | 7863 | 1 | None | 501 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm060073e | ||
| 11685100 | 86372 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 525 | 6 | 1 | 4 | 3.0 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| CHEMBL211443 | 86372 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 525 | 6 | 1 | 4 | 3.0 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| 56950169 | 82106 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 462 | 6 | 2 | 4 | 2.6 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | 10.1021/jm201287w | ||
| CHEMBL2037503 | 82106 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 462 | 6 | 2 | 4 | 2.6 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | 10.1021/jm201287w | ||
| 42611262 | 187338 | 0 | None | 31 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL475395 | 187338 | 0 | None | 31 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL2112248 | 216014 | 0 | None | -1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| CHEMBL2112248 | 216014 | 0 | None | 1 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| CHEMBL3814633 | 219068 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | 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](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 10699322 | 210375 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 640 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL66931 | 210375 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 640 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 9938406 | 100092 | 1 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24526 | 100092 | 1 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 18700187 | 105620 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 577 | 9 | 0 | 7 | 4.0 | O=C(Cc1ccc(OCCN2CCOCC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL278818 | 105620 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 577 | 9 | 0 | 7 | 4.0 | O=C(Cc1ccc(OCCN2CCOCC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 118720268 | 122619 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01691 | ||
| CHEMBL3354579 | 122619 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01691 | ||
| 155565903 | 182522 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1024 | 21 | 13 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01691 | ||
| CHEMBL4583231 | 182522 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1024 | 21 | 13 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01691 | ||
| 44297525 | 103584 | 0 | None | -10 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL265048 | 103584 | 0 | None | -10 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 10817776 | 210606 | 0 | None | 5 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 628 | 8 | 0 | 7 | 5.3 | CCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)c(C)cc(C)[n+]1[O-] | 10.1021/jm9800797 | ||
| CHEMBL68480 | 210606 | 0 | None | 5 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 628 | 8 | 0 | 7 | 5.3 | CCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)c(C)cc(C)[n+]1[O-] | 10.1021/jm9800797 | ||
| 73346893 | 96129 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 989 | 17 | 12 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL2369425 | 96129 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 989 | 17 | 12 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| 44456070 | 162108 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 464 | 6 | 1 | 5 | 2.4 | Cc1nc([C@H](C(=O)N2CCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL403149 | 162108 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 464 | 6 | 1 | 5 | 2.4 | Cc1nc([C@H](C(=O)N2CCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44581267 | 181603 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 505 | 9 | 0 | 7 | 4.9 | COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)c1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL456254 | 181603 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 505 | 9 | 0 | 7 | 4.9 | COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)c1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44413575 | 173100 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 546 | 8 | 2 | 5 | 3.2 | CC[C@@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(N2CCOCC2)cc1 | 10.1021/jm060073e | ||
| CHEMBL427227 | 173100 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 546 | 8 | 2 | 5 | 3.2 | CC[C@@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(N2CCOCC2)cc1 | 10.1021/jm060073e | ||
| 11519207 | 140332 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 518 | 8 | 3 | 4 | 3.4 | CC(=O)Nc1ccc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| CHEMBL371008 | 140332 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 518 | 8 | 3 | 4 | 3.4 | CC(=O)Nc1ccc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| 56949905 | 82094 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 462 | 6 | 1 | 4 | 2.7 | Cc1ccc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cn1 | 10.1021/jm201287w | ||
| CHEMBL2037491 | 82094 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 462 | 6 | 1 | 4 | 2.7 | Cc1ccc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cn1 | 10.1021/jm201287w | ||
| 135399831 | 85837 | 0 | None | 1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 597 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113189 | 85837 | 0 | None | 1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 597 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 10461270 | 10450 | 7 | None | -3 | 5 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 10.1021/jm901812z | ||
| 2201 | 10450 | 7 | None | -3 | 5 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 10.1021/jm901812z | ||
| CHEMBL1615640 | 10450 | 7 | None | -3 | 5 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 10.1021/jm901812z | ||
| CHEMBL2372927 | 217094 | 0 | None | 199 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| 44275524 | 168072 | 0 | None | -9 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| 91931053 | 168072 | 0 | None | -9 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL412210 | 168072 | 0 | None | -9 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 2042 | 9757 | 58 | None | -1 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9607156 | ||||
| 2174 | 9757 | 58 | None | -1 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9607156 | ||||
| 2176 | 9757 | 58 | None | -1 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9607156 | ||||
| 439302 | 9757 | 58 | None | -1 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9607156 | ||||
| CHEMBL395429 | 9757 | 58 | None | -1 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9607156 | ||||
| DB00107 | 9757 | 58 | None | -1 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9607156 | ||||
| 10675476 | 210660 | 0 | None | 5 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 630 | 6 | 0 | 7 | 5.2 | COc1cc(OC2CCN([C@H]3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL68800 | 210660 | 0 | None | 5 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 630 | 6 | 0 | 7 | 5.2 | COc1cc(OC2CCN([C@H]3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 56675151 | 70001 | 0 | None | 14 | 3 | Human | 8.7 | pKi | = | 8.7 | 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 | 14 | 3 | Human | 8.7 | pKi | = | 8.7 | 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+ | ||
| 11169 | 7584 | 37 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b01691 | ||||
| 131676677 | 7584 | 37 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b01691 | ||||
| 165708555 | 7584 | 37 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b01691 | ||||
| 16681432 | 7584 | 37 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b01691 | ||||
| 495 | 7584 | 37 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b01691 | ||||
| CHEMBL3301668 | 7584 | 37 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b01691 | ||||
| DB01282 | 7584 | 37 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b01691 | ||||
| 44428109 | 17090 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1629 | 38 | 18 | 23 | -0.0 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N(C(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)[C@@H](CCCCN)C(N)=O)C1 | 10.1021/jm061404q | ||
| 91935618 | 17090 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1629 | 38 | 18 | 23 | -0.0 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N(C(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)[C@@H](CCCCN)C(N)=O)C1 | 10.1021/jm061404q | ||
| CHEMBL1161979 | 17090 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1629 | 38 | 18 | 23 | -0.0 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N(C(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)[C@@H](CCCCN)C(N)=O)C1 | 10.1021/jm061404q | ||
| 11260438 | 104410 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | Cc1nc([C@H](C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL271039 | 104410 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | Cc1nc([C@H](C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44456424 | 166469 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 545 | 7 | 2 | 4 | 4.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(Br)s1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL410420 | 166469 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 545 | 7 | 2 | 4 | 4.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(Br)s1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44279908 | 106361 | 0 | None | 794 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 585 | 8 | 1 | 9 | 3.5 | CCOc1ccn(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)c(=O)n1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL283894 | 106361 | 0 | None | 794 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 585 | 8 | 1 | 9 | 3.5 | CCOc1ccn(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)c(=O)n1 | 10.1016/s0960-894x(02)00160-9 | ||
| 10416272 | 111516 | 6 | None | 630 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL31065 | 111516 | 6 | None | 630 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 11685194 | 142034 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 532 | 7 | 3 | 4 | 3.8 | CC(=O)Nc1ccc([C@H](C(=O)NC(C)(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| CHEMBL372554 | 142034 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 532 | 7 | 3 | 4 | 3.8 | CC(=O)Nc1ccc([C@H](C(=O)NC(C)(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| 21886866 | 142048 | 26 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 135 | 0 | 1 | 2 | 1.1 | c1ccc2c(c1)CNCO2 | 10.1021/jm050557v | ||
| CHEMBL372615 | 142048 | 26 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 135 | 0 | 1 | 2 | 1.1 | c1ccc2c(c1)CNCO2 | 10.1021/jm050557v | ||
| 2252 | 9011 | 48 | None | -1 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(02)00159-2 | ||
| 6918320 | 9011 | 48 | None | -1 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL24781 | 9011 | 48 | None | -1 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(02)00159-2 | ||
| 44279637 | 118209 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 550 | 5 | 0 | 6 | 4.1 | Cc1cc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc2ccn(C[C@H]3CCCN3S(C)(=O)=O)c12 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL32745 | 118209 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 550 | 5 | 0 | 6 | 4.1 | Cc1cc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc2ccn(C[C@H]3CCCN3S(C)(=O)=O)c12 | 10.1016/s0960-894x(02)00159-2 | ||
| 44308876 | 210671 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 4.9 | COc1cc(OC2CCN(Cc3cccnc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL68914 | 210671 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 4.9 | COc1cc(OC2CCN(Cc3cccnc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 44581687 | 182378 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 445 | 7 | 0 | 5 | 4.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccc2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL457998 | 182378 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 445 | 7 | 0 | 5 | 4.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccc2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44581240 | 196503 | 0 | None | 6 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 486 | 8 | 0 | 7 | 4.4 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C#N)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL515660 | 196503 | 0 | None | 6 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 486 | 8 | 0 | 7 | 4.4 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C#N)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44279573 | 105916 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 625 | 6 | 1 | 8 | 4.6 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1nc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2s1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL281081 | 105916 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 625 | 6 | 1 | 8 | 4.6 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1nc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2s1 | 10.1016/s0960-894x(02)00160-9 | ||
| 44279846 | 106344 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 648 | 6 | 0 | 7 | 6.4 | O=C(c1ccc2oc(CN3CCCC[C@H]3Cn3cc(C(F)(F)F)ccc3=O)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL283676 | 106344 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 648 | 6 | 0 | 7 | 6.4 | O=C(c1ccc2oc(CN3CCCC[C@H]3Cn3cc(C(F)(F)F)ccc3=O)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00160-9 | ||
| 44280354 | 177938 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 628 | 5 | 0 | 7 | 6.5 | O=C(c1ccc2oc(-c3cccc(Cn4cc(C(F)(F)F)ccc4=O)n3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL445875 | 177938 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 628 | 5 | 0 | 7 | 6.5 | O=C(c1ccc2oc(-c3cccc(Cn4cc(C(F)(F)F)ccc4=O)n3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00160-9 | ||
| 135520376 | 85852 | 0 | None | 138 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 526 | 9 | 2 | 6 | 3.8 | CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113209 | 85852 | 0 | None | 138 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 526 | 9 | 2 | 6 | 3.8 | CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 44404012 | 77195 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 539 | 8 | 2 | 5 | 2.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(S(C)(=O)=O)cc1 | 10.1021/jm050557v | ||
| CHEMBL194584 | 77195 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 539 | 8 | 2 | 5 | 2.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(S(C)(=O)=O)cc1 | 10.1021/jm050557v | ||
| 70685417 | 80424 | 0 | None | -5 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C/I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017867 | 80424 | 0 | None | -5 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C/I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 11465834 | 145200 | 0 | None | -23 | 4 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| CHEMBL377414 | 145200 | 0 | None | -23 | 4 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| 135520376 | 85852 | 0 | None | 138 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 526 | 9 | 2 | 6 | 3.8 | CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| CHEMBL2113209 | 85852 | 0 | None | 138 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 526 | 9 | 2 | 6 | 3.8 | CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| 67839485 | 170980 | 0 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 327 | 2 | 0 | 1 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4210854 | 170980 | 0 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 327 | 2 | 0 | 1 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3813722 | 219057 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | 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)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 44279688 | 106904 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 626 | 6 | 1 | 7 | 4.8 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5c(F)cccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL287628 | 106904 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 626 | 6 | 1 | 7 | 4.8 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5c(F)cccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 44279997 | 109603 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL30550 | 109603 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 1134581 | 16666 | 8 | None | 3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 444 | 7 | 1 | 4 | 4.5 | COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL114302 | 16666 | 8 | None | 3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 444 | 7 | 1 | 4 | 4.5 | COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| 44404027 | 78899 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 539 | 8 | 2 | 5 | 2.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(S(C)(=O)=O)cc1 | 10.1021/jm050557v | ||
| CHEMBL197833 | 78899 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 539 | 8 | 2 | 5 | 2.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(S(C)(=O)=O)cc1 | 10.1021/jm050557v | ||
| 11619939 | 173127 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 479 | 7 | 2 | 3 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(F)cc1 | 10.1021/jm050557v | ||
| CHEMBL427353 | 173127 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 479 | 7 | 2 | 3 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(F)cc1 | 10.1021/jm050557v | ||
| 44275026 | 98362 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 488 | 7 | 2 | 4 | 3.3 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc(Cl)c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL24074 | 98362 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 488 | 7 | 2 | 4 | 3.3 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc(Cl)c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 44274724 | 100233 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 522 | 7 | 2 | 4 | 4.0 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc(Cl)c(Cl)c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL24605 | 100233 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 522 | 7 | 2 | 4 | 4.0 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc(Cl)c(Cl)c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 44274675 | 100421 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 572 | 12 | 2 | 5 | 4.5 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCCc2cccc(Cl)c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL24678 | 100421 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 572 | 12 | 2 | 5 | 4.5 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCCc2cccc(Cl)c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 44274994 | 100686 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 504 | 7 | 2 | 4 | 3.8 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc23)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL24816 | 100686 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 504 | 7 | 2 | 4 | 3.8 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc23)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 9797987 | 125287 | 3 | None | 1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 339 | 2 | 0 | 2 | 3.7 | Cc1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm901812z | ||
| CHEMBL341490 | 125287 | 3 | None | 1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 339 | 2 | 0 | 2 | 3.7 | Cc1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm901812z | ||
| 56682530 | 69984 | 0 | None | -245 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | -245 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
| CHEMBL2369841 | 216485 | 0 | None | -301 | 4 | Human | 6.0 | pKi | = | 6.0 | 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 | ||||
| 135510027 | 147848 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 524 | 7 | 2 | 5 | 6.4 | Cc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL382515 | 147848 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 524 | 7 | 2 | 5 | 6.4 | Cc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 | 10.1021/jm050645f | ||
| 145976648 | 170622 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.6 | CCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4206482 | 170622 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.6 | CCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 44419039 | 144174 | 0 | None | -8511 | 8 | Human | 6.0 | pKi | = | 6.0 | 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 | -8511 | 8 | Human | 6.0 | pKi | = | 6.0 | 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 | ||
| 135489430 | 85839 | 0 | None | 11 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 627 | 12 | 2 | 9 | 3.1 | COC(=O)c1cccc2c1NC(=O)/C2=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCCN(C)C)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113195 | 85839 | 0 | None | 11 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 627 | 12 | 2 | 9 | 3.1 | COC(=O)c1cccc2c1NC(=O)/C2=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCCN(C)C)cc1 | 10.1021/jm050645f | ||
| 10411308 | 208013 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL603708 | 208013 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 10411308 | 208013 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm3006146 | ||
| CHEMBL603708 | 208013 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm3006146 | ||
| 10411308 | 208013 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| CHEMBL603708 | 208013 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| 10507277 | 210761 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 570 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3cccnc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL69520 | 210761 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 570 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3cccnc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10793202 | 210764 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 572 | 7 | 0 | 7 | 4.1 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL69539 | 210764 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 572 | 7 | 0 | 7 | 4.1 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10507800 | 210283 | 0 | None | -5 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 600 | 8 | 0 | 7 | 4.7 | CCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)ccc[n+]1[O-] | 10.1021/jm9800797 | ||
| CHEMBL66240 | 210283 | 0 | None | -5 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 600 | 8 | 0 | 7 | 4.7 | CCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)ccc[n+]1[O-] | 10.1021/jm9800797 | ||
| 2213 | 7306 | 46 | None | -46 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 3008 | 7306 | 46 | None | -46 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 5311010 | 7306 | 46 | None | -46 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 68613 | 7306 | 46 | None | -46 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| CHEMBL378642 | 7306 | 46 | None | -46 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| CHEMBL382301 | 7306 | 46 | None | -46 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| DB09059 | 7306 | 46 | None | -46 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 53320505 | 63114 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1074 | 17 | 12 | 13 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Se][Se]C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL1630524 | 63114 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1074 | 17 | 12 | 13 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Se][Se]C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| 135513039 | 85848 | 0 | None | 63 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.5 | Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C#N)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113205 | 85848 | 0 | None | 63 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.5 | Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C#N)cc2)cc1 | 10.1021/jm050645f | ||
| 135916059 | 207868 | 0 | None | -16 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 513 | 4 | 2 | 5 | 6.6 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| CHEMBL602872 | 207868 | 0 | None | -16 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 513 | 4 | 2 | 5 | 6.6 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| CHEMBL3814126 | 219063 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C | 10.1016/j.bmc.2016.05.062 | ||||
| 135530164 | 85843 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 570 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113200 | 85843 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 570 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 54581533 | 69162 | 0 | None | -57 | 3 | Human | 6.9 | pKi | = | 6.9 | 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 | 6.9 | pKi | = | 6.9 | 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 | ||
| 10005688 | 11843 | 0 | None | -2 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 487 | 6 | 0 | 6 | 5.0 | COc1cc(OC(C)c2cccnc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL105406 | 11843 | 0 | None | -2 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 487 | 6 | 0 | 6 | 5.0 | COc1cc(OC(C)c2cccnc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| 10841081 | 109085 | 0 | None | -3 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL303487 | 109085 | 0 | None | -3 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10651439 | 109681 | 0 | None | -2 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 614 | 7 | 0 | 7 | 5.1 | COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL306010 | 109681 | 0 | None | -2 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 614 | 7 | 0 | 7 | 5.1 | COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 135414531 | 85851 | 0 | None | -3 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 13 | 2 | 8 | 3.1 | COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113208 | 85851 | 0 | None | -3 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 13 | 2 | 8 | 3.1 | COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm100989w | ||||
| 44456072 | 104493 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 6 | 2 | 4 | 3.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccoc1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL271456 | 104493 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 6 | 2 | 4 | 3.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccoc1 | 10.1016/j.bmcl.2007.11.008 | ||
| 25212177 | 181608 | 10 | None | 7 | 4 | Human | 7.9 | pKi | = | 7.9 | 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 | 7.9 | pKi | = | 7.9 | 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 | ||
| 44581241 | 182665 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 8 | 0 | 6 | 5.2 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3Cl)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL458634 | 182665 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 8 | 0 | 6 | 5.2 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3Cl)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44581719 | 182672 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 4.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cccs2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL458654 | 182672 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 4.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cccs2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44581720 | 182760 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 523 | 8 | 0 | 7 | 4.3 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL458872 | 182760 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 523 | 8 | 0 | 7 | 4.3 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44581718 | 196303 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 480 | 7 | 0 | 7 | 4.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2sc(C)nc2C)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL514123 | 196303 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 480 | 7 | 0 | 7 | 4.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2sc(C)nc2C)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| 25212178 | 196540 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.6 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)cn2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL515975 | 196540 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.6 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)cn2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| 11495934 | 84817 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 6 | 2 | 3 | 3.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](CO)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| CHEMBL209917 | 84817 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 6 | 2 | 3 | 3.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](CO)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| 54581307 | 67958 | 0 | None | -9 | 4 | Human | 7.9 | pKi | = | 7.9 | 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 | 7.9 | pKi | = | 7.9 | 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 | ||
| 44275618 | 104515 | 0 | None | -1 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 396 | 4 | 0 | 5 | 3.5 | COc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL27157 | 104515 | 0 | None | -1 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 396 | 4 | 0 | 5 | 3.5 | COc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(98)00568-x | ||
| 44275618 | 104515 | 0 | None | -1 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 396 | 4 | 0 | 5 | 3.5 | COc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL27157 | 104515 | 0 | None | -1 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 396 | 4 | 0 | 5 | 3.5 | COc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(99)00181-x | ||
| 16109439 | 144020 | 0 | None | -120 | 5 | Rat | 5.9 | pKi | = | 5.9 | 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 | -120 | 5 | Rat | 5.9 | pKi | = | 5.9 | 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 | ||
| CHEMBL2372932 | 217096 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| 3537 | 10776 | 22 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 5311500 | 10776 | 22 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL363910 | 10776 | 22 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 16109442 | 144175 | 0 | None | -208 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1068 | 20 | 14 | 15 | -3.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL375325 | 144175 | 0 | None | -208 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1068 | 20 | 14 | 15 | -3.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 44279330 | 106854 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 2 | 0 | 4 | 3.9 | Cn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL287293 | 106854 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 2 | 0 | 4 | 3.9 | Cn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| 44278983 | 115187 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 434 | 3 | 0 | 6 | 4.3 | Cc1nc(-c2ccncc2)sc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31986 | 115187 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 434 | 3 | 0 | 6 | 4.3 | Cc1nc(-c2ccncc2)sc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279329 | 118207 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 2 | 1 | 3 | 4.2 | Cc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2[nH]1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL32740 | 118207 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 2 | 1 | 3 | 4.2 | Cc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2[nH]1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44581685 | 182376 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 461 | 8 | 0 | 6 | 4.6 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL457997 | 182376 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 461 | 8 | 0 | 6 | 4.6 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44279580 | 106825 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 5 | 0 | 6 | 3.8 | CS(=O)(=O)N1CCC[C@H]1Cn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL287042 | 106825 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 5 | 0 | 6 | 3.8 | CS(=O)(=O)N1CCC[C@H]1Cn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| 11577215 | 142050 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 518 | 8 | 3 | 4 | 3.4 | CC(=O)Nc1ccc([C@@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| CHEMBL372619 | 142050 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 518 | 8 | 3 | 4 | 3.4 | CC(=O)Nc1ccc([C@@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| CHEMBL2369842 | 216486 | 0 | None | -8 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 56671721 | 69999 | 0 | None | 5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1321 | 15 | 13 | 19 | 3.0 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790722 | 69999 | 0 | None | 5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1321 | 15 | 13 | 19 | 3.0 | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C(C)O)NC1=O | 10.1021/jm010526+ | ||
| 10507580 | 210652 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(OC2CCN(Cc3cc(C)c[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL68752 | 210652 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(OC2CCN(Cc3cc(C)c[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10556286 | 211115 | 0 | None | -10 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 5.3 | COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL71540 | 211115 | 0 | None | -10 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 5.3 | COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 2249 | 9008 | 18 | None | -2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 9872389 | 9008 | 18 | None | -2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| CHEMBL1253853 | 9008 | 18 | None | -2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 2249 | 9008 | 18 | None | -2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| 9872389 | 9008 | 18 | None | -2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| CHEMBL1253853 | 9008 | 18 | None | -2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| 44361406 | 41788 | 0 | None | -4 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 451 | 7 | 1 | 5 | 3.4 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL143304 | 41788 | 0 | None | -4 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 451 | 7 | 1 | 5 | 3.4 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 44361387 | 126192 | 0 | None | -8 | 5 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 505 | 6 | 0 | 5 | 4.6 | CC(=O)N1CCCCC1CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL344752 | 126192 | 0 | None | -8 | 5 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 505 | 6 | 0 | 5 | 4.6 | CC(=O)N1CCCCC1CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 16109448 | 148378 | 0 | None | -213 | 4 | Rat | 6.9 | pKi | = | 6.9 | 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 | -213 | 4 | Rat | 6.9 | pKi | = | 6.9 | 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 | ||
| CHEMBL2369845 | 216487 | 0 | None | -169 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | ||||
| 145971417 | 171458 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 374 | 3 | 0 | 4 | 4.2 | Cc1ccn(-c2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4216926 | 171458 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 374 | 3 | 0 | 4 | 4.2 | Cc1ccn(-c2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 16109446 | 143383 | 0 | None | -354 | 4 | Rat | 6.9 | pKi | = | 6.9 | 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 | 6.9 | pKi | = | 6.9 | 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 | ||
| 2192 | 9137 | 28 | None | -2 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| 9690136 | 9137 | 28 | None | -2 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| CHEMBL1254024 | 9137 | 28 | None | -2 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| 54582526 | 69163 | 0 | None | -34 | 3 | Human | 6.9 | pKi | = | 6.9 | 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 | 6.9 | pKi | = | 6.9 | 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 | ||
| 44419025 | 91071 | 0 | None | -537 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL221436 | 91071 | 0 | None | -537 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL2369836 | 216480 | 0 | None | -2570 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 135520200 | 85841 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 522 | 9 | 3 | 7 | 2.4 | CCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)C(CO)C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113197 | 85841 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 522 | 9 | 3 | 7 | 2.4 | CCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)C(CO)C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 | 10.1021/jm050645f | ||
| 10698572 | 210591 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(OC2CCN(Cc3ccc(C)[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL68373 | 210591 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(OC2CCN(Cc3ccc(C)[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10746141 | 210243 | 0 | None | -2 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 600 | 6 | 0 | 7 | 4.1 | COc1cc(OC2CCN(C(=O)c3ccc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL65950 | 210243 | 0 | None | -2 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 600 | 6 | 0 | 7 | 4.1 | COc1cc(OC2CCN(C(=O)c3ccc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 1103817 | 23776 | 13 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL1254117 | 23776 | 13 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 1103817 | 23776 | 13 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm901812z | ||
| CHEMBL1254117 | 23776 | 13 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm901812z | ||
| 2253 | 9012 | 20 | None | -19 | 6 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| 5311202 | 9012 | 20 | None | -19 | 6 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| CHEMBL306645 | 9012 | 20 | None | -19 | 6 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| 135530164 | 85843 | 0 | None | -1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 570 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113200 | 85843 | 0 | None | -1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 570 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL297725 | 217681 | 0 | None | 31 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| CHEMBL52813 | 222484 | 0 | None | 23 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/jm00169a001 | ||||
| 53321821 | 63116 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 975 | 10 | 11 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2 | 10.1021/jm100989w | ||
| CHEMBL1630532 | 63116 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 975 | 10 | 11 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2 | 10.1021/jm100989w | ||
| 135413563 | 129708 | 25 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL360648 | 129708 | 25 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 145960494 | 168340 | 0 | None | 13 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1081 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4128839 | 168340 | 0 | None | 13 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1081 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL2369837 | 216481 | 0 | None | -794 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | ||||
| CHEMBL2369830 | 216476 | 0 | None | -338 | 4 | Human | 6.8 | pKi | = | 6.8 | 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 | ||||
| CHEMBL429161 | 220287 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | 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)N2[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC[C@@H]2C(C)(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm990090m | ||||
| 44419028 | 103684 | 17 | None | -1202 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| CHEMBL265858 | 103684 | 17 | None | -1202 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| 135413563 | 129708 | 25 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| CHEMBL360648 | 129708 | 25 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| 44335268 | 11673 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 410 | 5 | 0 | 5 | 3.9 | CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL104530 | 11673 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 410 | 5 | 0 | 5 | 3.9 | CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(98)00568-x | ||
| 2253 | 9012 | 20 | None | -19 | 6 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm9800797 | ||
| 5311202 | 9012 | 20 | None | -19 | 6 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm9800797 | ||
| CHEMBL306645 | 9012 | 20 | None | -19 | 6 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm9800797 | ||
| 73350823 | 109307 | 0 | None | 5 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL2424668 | 109307 | 0 | None | 5 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL3040578 | 109307 | 0 | None | 5 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| 135438560 | 141977 | 0 | None | 42 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 487 | 9 | 2 | 6 | 3.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL372122 | 141977 | 0 | None | 42 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 487 | 9 | 2 | 6 | 3.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 135469700 | 85846 | 0 | None | -7 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 555 | 10 | 2 | 7 | 2.9 | CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113203 | 85846 | 0 | None | -7 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 555 | 10 | 2 | 7 | 2.9 | CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 135438560 | 141977 | 0 | None | 42 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 487 | 9 | 2 | 6 | 3.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| CHEMBL372122 | 141977 | 0 | None | 42 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 487 | 9 | 2 | 6 | 3.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| 44279692 | 106442 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 504 | 6 | 2 | 6 | 2.9 | CC(=O)NCC(=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL284419 | 106442 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 504 | 6 | 2 | 6 | 2.9 | CC(=O)NCC(=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279390 | 106481 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 573 | 6 | 2 | 7 | 3.1 | CC1(C)NC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL284688 | 106481 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 573 | 6 | 2 | 7 | 3.1 | CC1(C)NC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O | 10.1016/s0960-894x(02)00159-2 | ||
| 56950451 | 81819 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 489 | 8 | 2 | 3 | 4.0 | CCc1ccccc1[C@H](C(=O)NC(C)C)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C | 10.1021/jm201287w | ||
| CHEMBL2035011 | 81819 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 489 | 8 | 2 | 3 | 4.0 | CCc1ccccc1[C@H](C(=O)NC(C)C)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C | 10.1021/jm201287w | ||
| 10031014 | 100625 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 574 | 11 | 2 | 5 | 4.6 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc23)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL24786 | 100625 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 574 | 11 | 2 | 5 | 4.6 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc23)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 11757835 | 106569 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 574 | 11 | 2 | 5 | 4.6 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc3ccccc3c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL285312 | 106569 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 574 | 11 | 2 | 5 | 4.6 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc3ccccc3c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL1790549 | 215678 | 0 | None | 18 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H]1C(=O)N2NCCC[C@@H]2C(=O)N2NCCC[C@H]2C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1O | 10.1021/jm00171a003 | ||||
| 44361387 | 126192 | 0 | None | -10 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 505 | 6 | 0 | 5 | 4.6 | CC(=O)N1CCCCC1CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL344752 | 126192 | 0 | None | -10 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 505 | 6 | 0 | 5 | 4.6 | CC(=O)N1CCCCC1CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 145975166 | 170572 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 328 | 2 | 0 | 2 | 4.7 | O=C(c1ccc(-c2cccnc2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4205970 | 170572 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 328 | 2 | 0 | 2 | 4.7 | O=C(c1ccc(-c2cccnc2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 73346892 | 96128 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 975 | 17 | 12 | 14 | -3.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL2369424 | 96128 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 975 | 17 | 12 | 14 | -3.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| 44279433 | 106525 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 524 | 7 | 0 | 6 | 3.7 | CN(CCCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21)S(C)(=O)=O | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL285012 | 106525 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 524 | 7 | 0 | 6 | 3.7 | CN(CCCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21)S(C)(=O)=O | 10.1016/s0960-894x(02)00159-2 | ||
| 44279772 | 106740 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 4 | 0 | 5 | 4.4 | CC(=O)N1CCC[C@@H]1Cn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL286476 | 106740 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 4 | 0 | 5 | 4.4 | CC(=O)N1CCC[C@@H]1Cn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279000 | 113992 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 3 | 0 | 6 | 4.3 | Cc1nc(-c2cccs2)ncc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31665 | 113992 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 3 | 0 | 6 | 4.3 | Cc1nc(-c2cccs2)ncc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| 70694330 | 81824 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 519 | 8 | 2 | 5 | 3.2 | COC(=O)c1ccccc1[C@@H](C(=O)NC(C)C)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C | 10.1021/jm201287w | ||
| CHEMBL2035016 | 81824 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 519 | 8 | 2 | 5 | 3.2 | COC(=O)c1ccccc1[C@@H](C(=O)NC(C)C)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C | 10.1021/jm201287w | ||
| 44404031 | 78545 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 504 | 8 | 3 | 4 | 2.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(C(N)=O)cc1 | 10.1021/jm050557v | ||
| CHEMBL196688 | 78545 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 504 | 8 | 3 | 4 | 2.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(C(N)=O)cc1 | 10.1021/jm050557v | ||
| 11706166 | 79260 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 509 | 6 | 2 | 3 | 4.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1 | 10.1021/jm050557v | ||
| CHEMBL198964 | 79260 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 509 | 6 | 2 | 3 | 4.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1 | 10.1021/jm050557v | ||
| 11534310 | 141957 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 573 | 7 | 2 | 5 | 3.6 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1cccc(N2CCN(C)CC2)c1 | 10.1021/jm050557v | ||
| CHEMBL371983 | 141957 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 573 | 7 | 2 | 5 | 3.6 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1cccc(N2CCN(C)CC2)c1 | 10.1021/jm050557v | ||
| 11606502 | 142024 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 559 | 7 | 2 | 4 | 4.7 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)(C)C)c1ccc(OC(F)(F)F)cc1 | 10.1021/jm050557v | ||
| CHEMBL372516 | 142024 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 559 | 7 | 2 | 4 | 4.7 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)(C)C)c1ccc(OC(F)(F)F)cc1 | 10.1021/jm050557v | ||
| 44274970 | 173714 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 7 | 1 | 4 | 3.7 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N(C)CCc2cccc(Cl)c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL428694 | 173714 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 7 | 1 | 4 | 3.7 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N(C)CCc2cccc(Cl)c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 10650710 | 210351 | 0 | None | 3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 570 | 7 | 0 | 7 | 5.5 | COc1cc(OC2CCN(C(C)c3cccnc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL66749 | 210351 | 0 | None | 3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 570 | 7 | 0 | 7 | 5.5 | COc1cc(OC2CCN(C(C)c3cccnc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10675477 | 103592 | 0 | None | -6 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 630 | 6 | 0 | 7 | 5.2 | COc1cc(OC2CCN([C@@H]3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL265070 | 103592 | 0 | None | -6 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 630 | 6 | 0 | 7 | 5.2 | COc1cc(OC2CCN([C@@H]3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10699323 | 210717 | 0 | None | -2 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 640 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL69265 | 210717 | 0 | None | -2 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 640 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 57519948 | 80426 | 4 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL2017869 | 80426 | 4 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| 57519948 | 80426 | 4 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmc.2016.10.035 | ||
| CHEMBL2017869 | 80426 | 4 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmc.2016.10.035 | ||
| 57519948 | 80426 | 4 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017869 | 80426 | 4 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 44334980 | 11896 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 487 | 6 | 0 | 6 | 5.0 | COc1cc(O[C@@H](C)c2ccncc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL105673 | 11896 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 487 | 6 | 0 | 6 | 5.0 | COc1cc(O[C@@H](C)c2ccncc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| 1153925 | 78627 | 2 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 448 | 6 | 1 | 3 | 5.1 | Cc1c(Cl)cccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 | 10.1021/jm050645f | ||
| CHEMBL196974 | 78627 | 2 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 448 | 6 | 1 | 3 | 5.1 | Cc1c(Cl)cccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 | 10.1021/jm050645f | ||
| 1135733 | 142777 | 9 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 3.5 | COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL373167 | 142777 | 9 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 3.5 | COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| 44275210 | 101807 | 0 | None | -4 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL25502 | 101807 | 0 | None | -4 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 9797987 | 125287 | 3 | None | -1 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 2 | 0 | 2 | 3.7 | Cc1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm901812z | ||
| CHEMBL341490 | 125287 | 3 | None | -1 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 2 | 0 | 2 | 3.7 | Cc1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 | 10.1021/jm901812z | ||
| CHEMBL2369847 | 216488 | 0 | None | -16 | 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](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 145961670 | 168143 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1139 | 19 | 14 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4126100 | 168143 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1139 | 19 | 14 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 44334970 | 11778 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 424 | 5 | 0 | 5 | 4.2 | COc1cc(OC(C)C)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL105039 | 11778 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 424 | 5 | 0 | 5 | 4.2 | COc1cc(OC(C)C)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL1790937 | 215685 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 135916070 | 207752 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 2 | 1 | 6 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL601931 | 207752 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 2 | 1 | 6 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 135916070 | 207752 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 2 | 1 | 6 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 | 10.1021/jm901084f | ||
| CHEMBL601931 | 207752 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 2 | 1 | 6 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 | 10.1021/jm901084f | ||
| 21476314 | 123871 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(CC2NC(=O)C(N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1016/j.bmc.2016.10.035 | ||
| CHEMBL3392901 | 123871 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(CC2NC(=O)C(N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1016/j.bmc.2016.10.035 | ||
| 54581530 | 69155 | 0 | None | -562 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 666 | 9 | 0 | 8 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779409 | 69155 | 0 | None | -562 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 666 | 9 | 0 | 8 | 4.5 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL292579 | 217665 | 0 | None | 32 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCNCN2C1=O | 10.1021/jm00169a001 | ||||
| 135475778 | 85853 | 0 | None | 223 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 540 | 10 | 2 | 6 | 4.2 | CCCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| CHEMBL2113210 | 85853 | 0 | None | 223 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 540 | 10 | 2 | 6 | 4.2 | CCCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| CHEMBL2372252 | 216983 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SS[C@@H](C(=O)N2C(C(C)(C)C)CC[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/jm990090m | ||||
| 114904 | 9728 | 56 | None | -7 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00023a002 | ||
| 2196 | 9728 | 56 | None | -7 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00023a002 | ||
| CHEMBL296908 | 9728 | 56 | None | -7 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00023a002 | ||
| 114904 | 9728 | 56 | None | -7 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm901812z | ||
| 2196 | 9728 | 56 | None | -7 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm901812z | ||
| CHEMBL296908 | 9728 | 56 | None | -7 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm901812z | ||
| 54585431 | 69161 | 0 | None | -141 | 3 | Human | 6.8 | pKi | = | 6.8 | 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 | 6.8 | pKi | = | 6.8 | 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 | ||
| 135414270 | 85849 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 498 | 6 | 2 | 5 | 3.8 | Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2cccc3ccccc23)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113206 | 85849 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 498 | 6 | 2 | 5 | 3.8 | Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2cccc3ccccc23)cc1 | 10.1021/jm050645f | ||
| 135997467 | 85857 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 538 | 8 | 2 | 5 | 4.7 | CCC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113214 | 85857 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 538 | 8 | 2 | 5 | 4.7 | CCC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 54585227 | 67961 | 0 | None | -104 | 4 | Human | 6.8 | pKi | = | 6.8 | 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 | 6.8 | pKi | = | 6.8 | 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 | ||
| CHEMBL2370342 | 216611 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||||
| 135475778 | 85853 | 0 | None | 223 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 540 | 10 | 2 | 6 | 4.2 | CCCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113210 | 85853 | 0 | None | 223 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 540 | 10 | 2 | 6 | 4.2 | CCCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 135520202 | 140367 | 0 | None | 33 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 528 | 8 | 2 | 7 | 5.1 | COc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(Cl)cc2)cc1OC | 10.1021/jm050645f | ||
| CHEMBL371223 | 140367 | 0 | None | 33 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 528 | 8 | 2 | 7 | 5.1 | COc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(Cl)cc2)cc1OC | 10.1021/jm050645f | ||
| 44297517 | 162505 | 0 | None | -165 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1343 | 39 | 15 | 16 | -1.4 | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL405440 | 162505 | 0 | None | -165 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1343 | 39 | 15 | 16 | -1.4 | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 19690978 | 116308 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 548 | 7 | 0 | 5 | 6.6 | COc1cc(OC(c2ccccc2)c2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL322162 | 116308 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 548 | 7 | 0 | 5 | 6.6 | COc1cc(OC(c2ccccc2)c2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| 71457081 | 89150 | 0 | None | -64 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1309 | 24 | 5 | 14 | 10.2 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71482251 | 89150 | 0 | None | -64 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1309 | 24 | 5 | 14 | 10.2 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL2172289 | 89150 | 0 | None | -64 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1309 | 24 | 5 | 14 | 10.2 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 2252 | 9011 | 48 | None | -5 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(98)00568-x | ||
| 6918320 | 9011 | 48 | None | -5 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL24781 | 9011 | 48 | None | -5 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(98)00568-x | ||
| 2252 | 9011 | 48 | None | -5 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(99)00181-x | ||
| 6918320 | 9011 | 48 | None | -5 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24781 | 9011 | 48 | None | -5 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(99)00181-x | ||
| 2252 | 9011 | 48 | None | -5 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| 6918320 | 9011 | 48 | None | -5 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| CHEMBL24781 | 9011 | 48 | None | -5 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| 2252 | 9011 | 48 | None | -5 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| 6918320 | 9011 | 48 | None | -5 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| CHEMBL24781 | 9011 | 48 | None | -5 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| 2202 | 9537 | 33 | None | -10 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| 9895468 | 9537 | 33 | None | -10 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL582857 | 9537 | 33 | None | -10 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| DB12643 | 9537 | 33 | None | -10 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| 2202 | 9537 | 33 | None | -10 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| 9895468 | 9537 | 33 | None | -10 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL582857 | 9537 | 33 | None | -10 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| DB12643 | 9537 | 33 | None | -10 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| 44278943 | 106440 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 5 | 0 | 6 | 3.8 | CS(=O)(=O)N1CCC[C@@H]1Cn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL284410 | 106440 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 5 | 0 | 6 | 3.8 | CS(=O)(=O)N1CCC[C@@H]1Cn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| 44275099 | 105615 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 558 | 11 | 2 | 5 | 4.1 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc(Cl)c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL278802 | 105615 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 558 | 11 | 2 | 5 | 4.1 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc(Cl)c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 16109443 | 148497 | 0 | None | -1023 | 4 | Rat | 6.7 | pKi | = | 6.7 | 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 | -1023 | 4 | Rat | 6.7 | pKi | = | 6.7 | 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 | ||
| 3537 | 10776 | 22 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 5311500 | 10776 | 22 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL363910 | 10776 | 22 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 3537 | 10776 | 22 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| 5311500 | 10776 | 22 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| CHEMBL363910 | 10776 | 22 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| 44278944 | 106153 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 375 | 2 | 1 | 3 | 3.9 | O=C(c1ccc2cc[nH]c2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL282577 | 106153 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 375 | 2 | 1 | 3 | 3.9 | O=C(c1ccc2cc[nH]c2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279485 | 107033 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 501 | 3 | 0 | 5 | 4.9 | CC(=O)N1CCCC(c2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL288774 | 107033 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 501 | 3 | 0 | 5 | 4.9 | CC(=O)N1CCCC(c2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44278929 | 112410 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 375 | 2 | 1 | 3 | 3.9 | O=C(c1ccc2[nH]ccc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31241 | 112410 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 375 | 2 | 1 | 3 | 3.9 | O=C(c1ccc2[nH]ccc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279774 | 114773 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 537 | 5 | 0 | 6 | 4.2 | CS(=O)(=O)N1CCC[C@@H]1Cc1coc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc12 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31941 | 114773 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 537 | 5 | 0 | 6 | 4.2 | CS(=O)(=O)N1CCC[C@@H]1Cc1coc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc12 | 10.1016/s0960-894x(02)00159-2 | ||
| 44275002 | 99362 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 573 | 11 | 3 | 6 | 2.6 | CC(=O)CCCC(=O)NC1N=C(C)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL24353 | 99362 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 573 | 11 | 3 | 6 | 2.6 | CC(=O)CCCC(=O)NC1N=C(C)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 44274927 | 101117 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 558 | 11 | 2 | 5 | 4.1 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccccc2Cl)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL25067 | 101117 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 558 | 11 | 2 | 5 | 4.1 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccccc2Cl)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 10074886 | 11613 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 505 | 6 | 0 | 6 | 5.1 | COc1cc(O[C@H](C)c2ccncc2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL104237 | 11613 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 505 | 6 | 0 | 6 | 5.1 | COc1cc(O[C@H](C)c2ccncc2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| 44214438 | 210384 | 0 | None | 3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 630 | 6 | 0 | 7 | 5.2 | COc1cc(OC2CCN(C3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL66992 | 210384 | 0 | None | 3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 630 | 6 | 0 | 7 | 5.2 | COc1cc(OC2CCN(C3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10416272 | 111516 | 6 | None | 630 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1021/jm901812z | ||
| CHEMBL31065 | 111516 | 6 | None | 630 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1021/jm901812z | ||
| 10416272 | 111516 | 6 | None | 630 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1021/jm901812z | ||
| CHEMBL31065 | 111516 | 6 | None | 630 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 608 | 6 | 1 | 7 | 4.7 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1021/jm901812z | ||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01691 | ||||
| 135469700 | 85846 | 0 | None | 7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 10 | 2 | 7 | 2.9 | CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| CHEMBL2113203 | 85846 | 0 | None | 7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 10 | 2 | 7 | 2.9 | CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| 10507800 | 210283 | 0 | None | 5 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 600 | 8 | 0 | 7 | 4.7 | CCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)ccc[n+]1[O-] | 10.1021/jm9800797 | ||
| CHEMBL66240 | 210283 | 0 | None | 5 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 600 | 8 | 0 | 7 | 4.7 | CCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)ccc[n+]1[O-] | 10.1021/jm9800797 | ||
| 18700187 | 105620 | 0 | None | -1 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 577 | 9 | 0 | 7 | 4.0 | O=C(Cc1ccc(OCCN2CCOCC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL278818 | 105620 | 0 | None | -1 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 577 | 9 | 0 | 7 | 4.0 | O=C(Cc1ccc(OCCN2CCOCC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 135469700 | 85846 | 0 | None | 7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 10 | 2 | 7 | 2.9 | CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113203 | 85846 | 0 | None | 7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 10 | 2 | 7 | 2.9 | CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 10675477 | 103592 | 0 | None | 6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 630 | 6 | 0 | 7 | 5.2 | COc1cc(OC2CCN([C@@H]3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL265070 | 103592 | 0 | None | 6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 630 | 6 | 0 | 7 | 5.2 | COc1cc(OC2CCN([C@@H]3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10746298 | 108856 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 610 | 6 | 0 | 7 | 6.2 | COc1cc(OC2CCN(c3cccc4ncccc34)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL302128 | 108856 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 610 | 6 | 0 | 7 | 6.2 | COc1cc(OC2CCN(c3cccc4ncccc34)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL2370343 | 216612 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O | 10.1021/jm010125u | ||||
| CHEMBL2112248 | 216014 | 0 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 18700090 | 100426 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 575 | 6 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24682 | 100426 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 575 | 6 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 10722476 | 108839 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 614 | 6 | 0 | 7 | 5.9 | COc1cc(OC2CCN(C3CCCc4ncccc43)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL302029 | 108839 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 614 | 6 | 0 | 7 | 5.9 | COc1cc(OC2CCN(C3CCCc4ncccc43)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10603831 | 210712 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 614 | 9 | 0 | 7 | 5.1 | CCCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)ccc[n+]1[O-] | 10.1021/jm9800797 | ||
| CHEMBL69202 | 210712 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 614 | 9 | 0 | 7 | 5.1 | CCCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)ccc[n+]1[O-] | 10.1021/jm9800797 | ||
| 44456469 | 165996 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 544 | 8 | 2 | 5 | 4.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(-c2ccccn2)s1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL409878 | 165996 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 544 | 8 | 2 | 5 | 4.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(-c2ccccn2)s1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44581268 | 181696 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 505 | 9 | 0 | 7 | 4.9 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)c(OC)c1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL456464 | 181696 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 505 | 9 | 0 | 7 | 4.9 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)c(OC)c1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44279910 | 105942 | 0 | None | 630 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 3.7 | COc1cccn(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)c1=O | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL281243 | 105942 | 0 | None | 630 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 3.7 | COc1cccn(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)c1=O | 10.1016/s0960-894x(02)00160-9 | ||
| 11649100 | 141978 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 505 | 7 | 2 | 4 | 3.8 | COc1ccc([C@H](C(=O)NC(C)(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| CHEMBL372128 | 141978 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 505 | 7 | 2 | 4 | 3.8 | COc1ccc([C@H](C(=O)NC(C)(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| 11677875 | 147305 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 509 | 6 | 2 | 3 | 4.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1 | 10.1021/jm050557v | ||
| CHEMBL381024 | 147305 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 509 | 6 | 2 | 3 | 4.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1 | 10.1021/jm050557v | ||
| 135399831 | 85837 | 0 | None | -1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 597 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113189 | 85837 | 0 | None | -1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 597 | 11 | 2 | 8 | 2.7 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 44275104 | 104062 | 0 | None | -33 | 4 | Human | 8.6 | pKi | = | 8.6 | 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 | -33 | 4 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 18700090 | 100426 | 0 | None | -1 | 2 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 575 | 6 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24682 | 100426 | 0 | None | -1 | 2 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 575 | 6 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 10579644 | 210711 | 0 | None | -2 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 612 | 6 | 0 | 7 | 5.0 | COc1cc(OC2CCN(C3CCCc4c3ccc[n+]4[O-])CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL69201 | 210711 | 0 | None | -2 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 612 | 6 | 0 | 7 | 5.0 | COc1cc(OC2CCN(C3CCCc4c3ccc[n+]4[O-])CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 135446053 | 85858 | 1 | None | 21 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 478 | 7 | 2 | 6 | 2.7 | COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113215 | 85858 | 1 | None | 21 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 478 | 7 | 2 | 6 | 2.7 | COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 54580516 | 69156 | 0 | None | -660 | 3 | Human | 7.7 | pKi | = | 7.7 | 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 | -660 | 3 | Human | 7.7 | pKi | = | 7.7 | 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 | ||
| 44361406 | 41788 | 0 | None | -6 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 451 | 7 | 1 | 5 | 3.4 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL143304 | 41788 | 0 | None | -6 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 451 | 7 | 1 | 5 | 3.4 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 44361403 | 40619 | 1 | None | -8 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 4.1 | CC(=O)N1CCCC(COc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)C1 | 10.1021/jm00023a002 | ||
| CHEMBL142324 | 40619 | 1 | None | -8 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 4.1 | CC(=O)N1CCCC(COc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)C1 | 10.1021/jm00023a002 | ||
| CHEMBL2369838 | 216482 | 0 | None | -102 | 4 | Human | 6.7 | pKi | = | 6.7 | 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 | ||||
| CHEMBL338308 | 218387 | 0 | None | -4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 135461099 | 85859 | 0 | None | 177 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 506 | 9 | 2 | 6 | 3.5 | CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113216 | 85859 | 0 | None | 177 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 506 | 9 | 2 | 6 | 3.5 | CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 54584266 | 67957 | 0 | None | -32 | 4 | Human | 7.7 | pKi | = | 7.7 | 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 | 7.7 | pKi | = | 7.7 | 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 | ||
| 52947354 | 23767 | 12 | None | -2 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 338 | 4 | 1 | 4 | 2.9 | CO/N=C1/C[C@@H](CO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 | 10.1021/jm901812z | ||
| CHEMBL1254025 | 23767 | 12 | None | -2 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 338 | 4 | 1 | 4 | 2.9 | CO/N=C1/C[C@@H](CO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 | 10.1021/jm901812z | ||
| 54582318 | 67960 | 0 | None | -56 | 4 | Human | 6.7 | pKi | = | 6.7 | 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 | 6.7 | pKi | = | 6.7 | 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 | ||
| 44361521 | 41844 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 450 | 7 | 2 | 4 | 2.9 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)NCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL143341 | 41844 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 450 | 7 | 2 | 4 | 2.9 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)NCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 44316241 | 103964 | 0 | None | -912 | 4 | Human | 6.7 | pKi | = | 6.7 | 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 | -912 | 4 | Human | 6.7 | pKi | = | 6.7 | 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 | ||
| 54584267 | 67959 | 0 | None | -35 | 4 | Human | 7.7 | pKi | = | 7.7 | 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 | 7.7 | pKi | = | 7.7 | 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 | ||
| 16109441 | 144173 | 0 | None | -48 | 4 | Rat | 7.7 | pKi | = | 7.7 | 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 | 7.7 | pKi | = | 7.7 | 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 | ||
| 145963213 | 168260 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4127791 | 168260 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL2369840 | 216484 | 0 | None | -28 | 4 | Human | 6.7 | pKi | = | 6.7 | 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](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| CHEMBL2369829 | 216475 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 10444 | 9106 | 14 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 139030525 | 9106 | 14 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145711714 | 9106 | 14 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204210 | 9106 | 14 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 10602875 | 210325 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 4.9 | COc1cc(OC2CCN(Cc3ccccn3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL66567 | 210325 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 4.9 | COc1cc(OC2CCN(Cc3ccccn3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 114904 | 9728 | 56 | None | -12 | 7 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00023a002 | ||
| 2196 | 9728 | 56 | None | -12 | 7 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00023a002 | ||
| CHEMBL296908 | 9728 | 56 | None | -12 | 7 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm00023a002 | ||
| 135506374 | 144678 | 23 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL3763342 | 144678 | 23 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2017.10.059 | ||
| 135506374 | 144678 | 23 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763342 | 144678 | 23 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| 114904 | 9728 | 56 | None | -12 | 7 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm901812z | ||
| 2196 | 9728 | 56 | None | -12 | 7 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm901812z | ||
| CHEMBL296908 | 9728 | 56 | None | -12 | 7 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 10.1021/jm901812z | ||
| 135613341 | 79162 | 7 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 423 | 7 | 2 | 5 | 3.1 | C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1O | 10.1021/jm050645f | ||
| CHEMBL198630 | 79162 | 7 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 423 | 7 | 2 | 5 | 3.1 | C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1O | 10.1021/jm050645f | ||
| 135491793 | 79756 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 498 | 6 | 2 | 5 | 5.8 | Cc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2ccc3ccccc3c2)cc1 | 10.1021/jm050645f | ||
| CHEMBL200729 | 79756 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 498 | 6 | 2 | 5 | 5.8 | Cc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2ccc3ccccc3c2)cc1 | 10.1021/jm050645f | ||
| 44361522 | 128473 | 0 | None | -4 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 477 | 4 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1021/jm00023a002 | ||
| CHEMBL358793 | 128473 | 0 | None | -4 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 477 | 4 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1021/jm00023a002 | ||
| 44419028 | 103684 | 17 | None | -199 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| CHEMBL265858 | 103684 | 17 | None | -199 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| CHEMBL2372253 | 216984 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2C(C(C)(C)C)CC[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/jm990090m | ||||
| 44275244 | 102009 | 0 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 424 | 6 | 0 | 5 | 3.8 | COc1ccc(CCC(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL25611 | 102009 | 0 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 424 | 6 | 0 | 5 | 3.8 | COc1ccc(CCC(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(99)00181-x | ||
| 44361521 | 41844 | 0 | None | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 450 | 7 | 2 | 4 | 2.9 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)NCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL143341 | 41844 | 0 | None | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 450 | 7 | 2 | 4 | 2.9 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)NCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 46233066 | 207751 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 632 | 5 | 1 | 6 | 4.4 | Cc1cc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| CHEMBL601930 | 207751 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 632 | 5 | 1 | 6 | 4.4 | Cc1cc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| 10507277 | 210761 | 0 | None | -2 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 570 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3cccnc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL69520 | 210761 | 0 | None | -2 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 570 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3cccnc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 1103817 | 23776 | 13 | None | 3 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL1254117 | 23776 | 13 | None | 3 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 135508167 | 85833 | 0 | None | -3 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 596 | 10 | 3 | 8 | 2.8 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113177 | 85833 | 0 | None | -3 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 596 | 10 | 3 | 8 | 2.8 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 2202 | 9537 | 33 | None | -10 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | -10 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | -10 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | -10 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
| 44279676 | 112127 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 524 | 6 | 1 | 6 | 4.4 | O=C(Cc1cccnc1)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31163 | 112127 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 524 | 6 | 1 | 6 | 4.4 | O=C(Cc1cccnc1)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279536 | 112279 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 559 | 6 | 1 | 7 | 2.7 | CN(Cc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1)C(=O)CN1C(=O)CNC1=O | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31213 | 112279 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 559 | 6 | 1 | 7 | 2.7 | CN(Cc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1)C(=O)CN1C(=O)CNC1=O | 10.1016/s0960-894x(02)00159-2 | ||
| 44279368 | 114186 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 560 | 6 | 1 | 8 | 3.2 | CC1OC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31802 | 114186 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 560 | 6 | 1 | 8 | 3.2 | CC1OC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O | 10.1016/s0960-894x(02)00159-2 | ||
| 44279459 | 116057 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 487 | 3 | 0 | 5 | 4.9 | CC(=O)N1CCC[C@@H]1c1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL32187 | 116057 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 487 | 3 | 0 | 5 | 4.9 | CC(=O)N1CCC[C@@H]1c1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279238 | 169517 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 530 | 6 | 1 | 6 | 3.4 | O=C(CN1CCCC1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL417133 | 169517 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 530 | 6 | 1 | 6 | 3.4 | O=C(CN1CCCC1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44280356 | 106068 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 634 | 5 | 0 | 7 | 6.2 | O=C(c1ccc2oc(CN3CCC[C@@H](n4cc(C(F)(F)F)ccc4=O)C3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL281988 | 106068 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 634 | 5 | 0 | 7 | 6.2 | O=C(c1ccc2oc(CN3CCC[C@@H](n4cc(C(F)(F)F)ccc4=O)C3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00160-9 | ||
| 44279689 | 106905 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 606 | 6 | 1 | 6 | 4.5 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL287629 | 106905 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 606 | 6 | 1 | 6 | 4.5 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 11656342 | 140379 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(N(C)C)cc1 | 10.1021/jm050557v | ||
| CHEMBL371291 | 140379 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(N(C)C)cc1 | 10.1021/jm050557v | ||
| 11577790 | 147668 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 573 | 7 | 2 | 5 | 3.6 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(N2CCN(C)CC2)cc1 | 10.1021/jm050557v | ||
| CHEMBL382065 | 147668 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 573 | 7 | 2 | 5 | 3.6 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(N2CCN(C)CC2)cc1 | 10.1021/jm050557v | ||
| 44274660 | 100665 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 565 | 8 | 3 | 5 | 2.9 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL24806 | 100665 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 565 | 8 | 3 | 5 | 2.9 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 10054193 | 105971 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 592 | 11 | 2 | 5 | 4.7 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc(Cl)c(Cl)c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL281403 | 105971 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 592 | 11 | 2 | 5 | 4.7 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc(Cl)c(Cl)c2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL2369839 | 216483 | 0 | None | -16 | 4 | Human | 7.6 | pKi | = | 7.6 | 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 | ||||
| CHEMBL1790552 | 215680 | 0 | None | 1 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN(C)N2C(=O)[C@H]2CCCN(C)N2C1=O | 10.1021/jm00171a003 | ||||
| 45103785 | 206045 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 584 | 4 | 1 | 5 | 4.6 | Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| CHEMBL590175 | 206045 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 584 | 4 | 1 | 5 | 4.6 | Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| 44278986 | 106681 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 376 | 2 | 0 | 4 | 4.2 | O=C(c1ccc2occc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL286084 | 106681 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 376 | 2 | 0 | 4 | 4.2 | O=C(c1ccc2occc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| 10413997 | 9005 | 5 | None | 1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 10.1021/jm00077a002 | ||
| 2246 | 9005 | 5 | None | 1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 10.1021/jm00077a002 | ||
| CHEMBL338522 | 9005 | 5 | None | 1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 10.1021/jm00077a002 | ||
| 44335148 | 11904 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 512 | 5 | 0 | 5 | 5.9 | COc1cc(OC2CCCc3ccccc32)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL105733 | 11904 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 512 | 5 | 0 | 5 | 5.9 | COc1cc(OC2CCCc3ccccc32)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| 52946086 | 23759 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 3.4 | CO/N=C1\C[C@@H](C(=O)NCC(O)c2ccccc2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1 | 10.1021/jm901812z | ||
| CHEMBL1253935 | 23759 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 3.4 | CO/N=C1\C[C@@H](C(=O)NCC(O)c2ccccc2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1 | 10.1021/jm901812z | ||
| 10722297 | 210242 | 0 | None | -5 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 600 | 7 | 0 | 7 | 4.8 | COc1cc(OC2CCN(Cc3ccc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL65949 | 210242 | 0 | None | -5 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 600 | 7 | 0 | 7 | 4.8 | COc1cc(OC2CCN(Cc3ccc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 2213 | 7306 | 46 | None | -46 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 3008 | 7306 | 46 | None | -46 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 5311010 | 7306 | 46 | None | -46 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 68613 | 7306 | 46 | None | -46 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| CHEMBL378642 | 7306 | 46 | None | -46 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| CHEMBL382301 | 7306 | 46 | None | -46 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| DB09059 | 7306 | 46 | None | -46 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 136961690 | 125372 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 412 | 3 | 1 | 6 | 4.2 | Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm501395b | ||
| CHEMBL3416757 | 125372 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 412 | 3 | 1 | 6 | 4.2 | Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm501395b | ||
| 135916069 | 208322 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 398 | 2 | 1 | 6 | 4.1 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm901084f | ||
| CHEMBL605373 | 208322 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 398 | 2 | 1 | 6 | 4.1 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm901084f | ||
| 54584477 | 69149 | 0 | None | -10 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | 6.6 | pKi | = | 6.6 | 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 | ||
| 11619807 | 79665 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 472 | 9 | 1 | 6 | 3.5 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL200368 | 79665 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 472 | 9 | 1 | 6 | 3.5 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 11619807 | 79665 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 472 | 9 | 1 | 6 | 3.5 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| CHEMBL200368 | 79665 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 472 | 9 | 1 | 6 | 3.5 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| 44308876 | 210671 | 0 | None | -2 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 4.9 | COc1cc(OC2CCN(Cc3cccnc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL68914 | 210671 | 0 | None | -2 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 4.9 | COc1cc(OC2CCN(Cc3cccnc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 2192 | 9137 | 28 | None | 2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| 9690136 | 9137 | 28 | None | 2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| CHEMBL1254024 | 9137 | 28 | None | 2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| 44579399 | 193941 | 0 | None | 19 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 8 | 0 | 7 | 3.6 | CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1 | 10.1021/jm901812z | ||
| CHEMBL492029 | 193941 | 0 | None | 19 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 8 | 0 | 7 | 3.6 | CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1 | 10.1021/jm901812z | ||
| 2192 | 9137 | 28 | None | 2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| 9690136 | 9137 | 28 | None | 2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| CHEMBL1254024 | 9137 | 28 | None | 2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 10.1021/jm901812z | ||
| 57520031 | 80431 | 0 | None | 2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 3.0 | COc1cc(OC2CCN(S(C)(=O)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017979 | 80431 | 0 | None | 2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 3.0 | COc1cc(OC2CCN(S(C)(=O)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 54584478 | 69152 | 0 | None | -354 | 3 | Human | 7.6 | pKi | = | 7.6 | 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 | 7.6 | pKi | = | 7.6 | 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 | ||
| 10721511 | 109449 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 5.5 | COc1cc(OC2CCN(Cc3ccccc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL304577 | 109449 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 5.5 | COc1cc(OC2CCN(Cc3ccccc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10840517 | 210683 | 0 | None | -3 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 4.9 | COc1cc(OC2CCN(Cc3ccncc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL68978 | 210683 | 0 | None | -3 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 4.9 | COc1cc(OC2CCN(Cc3ccncc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10793202 | 210764 | 0 | None | -2 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 572 | 7 | 0 | 7 | 4.1 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL69539 | 210764 | 0 | None | -2 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 572 | 7 | 0 | 7 | 4.1 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 54584265 | 67956 | 0 | None | -54 | 4 | Human | 7.5 | pKi | = | 7.5 | 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 | 7.5 | pKi | = | 7.5 | 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 | ||
| 54581529 | 69154 | 0 | None | -112 | 3 | Human | 7.5 | pKi | = | 7.5 | 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 | 7.5 | pKi | = | 7.5 | 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 | ||
| 10510242 | 127170 | 0 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1023 | 17 | 11 | 15 | -1.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSSC[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/jm9607156 | ||
| CHEMBL353396 | 127170 | 0 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1023 | 17 | 11 | 15 | -1.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSSC[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/jm9607156 | ||
| 135414531 | 85851 | 0 | None | 3 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 586 | 13 | 2 | 8 | 3.1 | COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113208 | 85851 | 0 | None | 3 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 586 | 13 | 2 | 8 | 3.1 | COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 155532160 | 178505 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1006 | 21 | 13 | 15 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01691 | ||
| CHEMBL4467042 | 178505 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1006 | 21 | 13 | 15 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01691 | ||
| 135414531 | 85851 | 0 | None | 3 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 586 | 13 | 2 | 8 | 3.1 | COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| CHEMBL2113208 | 85851 | 0 | None | 3 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 586 | 13 | 2 | 8 | 3.1 | COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| 44279410 | 103252 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 559 | 6 | 1 | 7 | 2.7 | CN1CC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL262384 | 103252 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 559 | 6 | 1 | 7 | 2.7 | CN1CC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O | 10.1016/s0960-894x(02)00159-2 | ||
| 44456270 | 162160 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 466 | 6 | 1 | 5 | 2.6 | Cc1nc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)c(C)o1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL403477 | 162160 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 466 | 6 | 1 | 5 | 2.6 | Cc1nc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)c(C)o1 | 10.1016/j.bmcl.2007.11.008 | ||
| 11758421 | 106444 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 609 | 6 | 1 | 8 | 4.1 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cnc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL284442 | 106444 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 609 | 6 | 1 | 8 | 4.1 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cnc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 44279542 | 113965 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 642 | 6 | 1 | 7 | 5.3 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccc(Cl)cc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL31651 | 113965 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 642 | 6 | 1 | 7 | 5.3 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccc(Cl)cc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 11569672 | 78511 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(N(C)C)cc1 | 10.1021/jm901812z | ||
| CHEMBL196603 | 78511 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(N(C)C)cc1 | 10.1021/jm901812z | ||
| 11569672 | 78511 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(N(C)C)cc1 | 10.1021/jm060073e | ||
| CHEMBL196603 | 78511 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(N(C)C)cc1 | 10.1021/jm060073e | ||
| 11569672 | 78511 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(N(C)C)cc1 | 10.1021/jm050557v | ||
| CHEMBL196603 | 78511 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(N(C)C)cc1 | 10.1021/jm050557v | ||
| 56949759 | 82091 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 464 | 6 | 2 | 5 | 2.1 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(O)nc1 | 10.1021/jm201287w | ||
| CHEMBL2037488 | 82091 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 464 | 6 | 2 | 5 | 2.1 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(O)nc1 | 10.1021/jm201287w | ||
| 57346808 | 220448 | 2 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | 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/jm990090m | ||||
| CHEMBL435716 | 220448 | 2 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | 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/jm990090m | ||||
| 10723001 | 109119 | 0 | None | -3 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 5.3 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL303700 | 109119 | 0 | None | -3 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 5.3 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10603858 | 210662 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 616 | 6 | 0 | 7 | 4.8 | COc1cc(OC2CCN(C3CCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL68816 | 210662 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 616 | 6 | 0 | 7 | 4.8 | COc1cc(OC2CCN(C3CCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL1790551 | 215679 | 0 | None | 229 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||||
| 10627984 | 210383 | 0 | None | -4 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 646 | 8 | 0 | 7 | 5.5 | CCc1c(CN2CCC(Oc3cc(OC)c(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)cc3F)CC2)c(C)cc(C)[n+]1[O-] | 10.1021/jm9800797 | ||
| CHEMBL66985 | 210383 | 0 | None | -4 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 646 | 8 | 0 | 7 | 5.5 | CCc1c(CN2CCC(Oc3cc(OC)c(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)cc3F)CC2)c(C)cc(C)[n+]1[O-] | 10.1021/jm9800797 | ||
| CHEMBL435021 | 220440 | 2 | None | 1 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10841081 | 109085 | 0 | None | 3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL303487 | 109085 | 0 | None | 3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 2249 | 9008 | 18 | None | 2 | 6 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| 9872389 | 9008 | 18 | None | 2 | 6 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| CHEMBL1253853 | 9008 | 18 | None | 2 | 6 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| 127049296 | 147455 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1019 | 17 | 9 | 14 | -1.9 | 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)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| CHEMBL3815099 | 147455 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1019 | 17 | 9 | 14 | -1.9 | 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)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||
| 135466581 | 85842 | 0 | None | 120 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| CHEMBL2113198 | 85842 | 0 | None | 120 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| 44335184 | 116332 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 487 | 6 | 0 | 6 | 5.0 | COc1cc(O[C@H](C)c2ccncc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL322187 | 116332 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 487 | 6 | 0 | 6 | 5.0 | COc1cc(O[C@H](C)c2ccncc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| 135466581 | 85842 | 0 | None | 120 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113198 | 85842 | 0 | None | 120 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 44279369 | 105744 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 3.1 | CN1CCC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL279782 | 105744 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 3.1 | CN1CCC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O | 10.1016/s0960-894x(02)00159-2 | ||
| 56950449 | 81817 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 7 | 2 | 3 | 4.1 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1Cl | 10.1021/jm201287w | ||
| CHEMBL2035009 | 81817 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 7 | 2 | 3 | 4.1 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1Cl | 10.1021/jm201287w | ||
| 44581269 | 196515 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 4.3 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccn2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL515818 | 196515 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 4.3 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccn2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44279590 | 117121 | 0 | None | 1000 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 6 | 1 | 8 | 4.1 | O=C(Cn1cnc(C(F)(F)F)cc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL32404 | 117121 | 0 | None | 1000 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 6 | 1 | 8 | 4.1 | O=C(Cn1cnc(C(F)(F)F)cc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 11569194 | 78882 | 0 | None | 316 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 479 | 7 | 2 | 3 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(F)cc1 | 10.1021/jm901812z | ||
| CHEMBL197793 | 78882 | 0 | None | 316 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 479 | 7 | 2 | 3 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(F)cc1 | 10.1021/jm901812z | ||
| 11341369 | 86367 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 519 | 6 | 2 | 5 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2 | 10.1021/jm060073e | ||
| CHEMBL211440 | 86367 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 519 | 6 | 2 | 5 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2 | 10.1021/jm060073e | ||
| 11570523 | 86862 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 574 | 7 | 3 | 5 | 3.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(N2CCC(O)CC2)cc1 | 10.1021/jm060073e | ||
| CHEMBL213112 | 86862 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 574 | 7 | 3 | 5 | 3.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(N2CCC(O)CC2)cc1 | 10.1021/jm060073e | ||
| 11634960 | 146025 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 517 | 6 | 2 | 4 | 3.7 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc2c(c1)CCO2 | 10.1021/jm060073e | ||
| CHEMBL378939 | 146025 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 517 | 6 | 2 | 4 | 3.7 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc2c(c1)CCO2 | 10.1021/jm060073e | ||
| 11569194 | 78882 | 0 | None | 316 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 479 | 7 | 2 | 3 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(F)cc1 | 10.1021/jm050557v | ||
| CHEMBL197793 | 78882 | 0 | None | 316 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 479 | 7 | 2 | 3 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(F)cc1 | 10.1021/jm050557v | ||
| 11677260 | 142470 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 3.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C(C)C)c1ccccc1 | 10.1021/jm050557v | ||
| CHEMBL372978 | 142470 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 3.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C(C)C)c1ccccc1 | 10.1021/jm050557v | ||
| 11363194 | 147849 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 461 | 7 | 2 | 3 | 3.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1 | 10.1021/jm050557v | ||
| CHEMBL382518 | 147849 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 461 | 7 | 2 | 3 | 3.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1 | 10.1021/jm050557v | ||
| 11612607 | 202357 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 475 | 7 | 2 | 3 | 3.7 | Cc1ccc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| CHEMBL555148 | 202357 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 475 | 7 | 2 | 3 | 3.7 | Cc1ccc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| CHEMBL1790548 | 215677 | 0 | None | 50 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O | 10.1021/jm00171a003 | ||||
| 10627414 | 210561 | 0 | None | -5 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 600 | 7 | 0 | 7 | 4.8 | COc1cc(OC2CCN(Cc3c[n+]([O-])c(C)cc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL68199 | 210561 | 0 | None | -5 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 600 | 7 | 0 | 7 | 4.8 | COc1cc(OC2CCN(Cc3c[n+]([O-])c(C)cc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 11740743 | 20880 | 0 | None | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm3006146 | ||
| CHEMBL119793 | 20880 | 0 | None | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm3006146 | ||
| 54583310 | 69867 | 0 | None | -25 | 3 | Human | 7.5 | pKi | = | 7.5 | 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 | 7.5 | pKi | = | 7.5 | 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 | 7.5 | pKi | = | 7.5 | 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 | ||
| 135506374 | 144678 | 23 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 144678 | 23 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 44215484 | 185359 | 0 | None | -10 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 440 | 7 | 0 | 6 | 4.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCN1CCOCC1 | 10.1021/jm901812z | ||
| CHEMBL467154 | 185359 | 0 | None | -10 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 440 | 7 | 0 | 6 | 4.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCN1CCOCC1 | 10.1021/jm901812z | ||
| 71451750 | 89153 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1295 | 30 | 4 | 17 | 7.6 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc54)nn3)c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2172292 | 89153 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1295 | 30 | 4 | 17 | 7.6 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc54)nn3)c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL3814617 | 219067 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | 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](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 56950452 | 81820 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 529 | 7 | 2 | 3 | 4.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1C(F)(F)F | 10.1021/jm201287w | ||
| CHEMBL2035012 | 81820 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 529 | 7 | 2 | 3 | 4.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1C(F)(F)F | 10.1021/jm201287w | ||
| 56950589 | 81821 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 491 | 8 | 2 | 4 | 3.4 | COc1ccccc1[C@H](C(=O)NC(C)C)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C | 10.1021/jm201287w | ||
| CHEMBL2035013 | 81821 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 491 | 8 | 2 | 4 | 3.4 | COc1ccccc1[C@H](C(=O)NC(C)C)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C | 10.1021/jm201287w | ||
| 44404013 | 78731 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 504 | 8 | 3 | 4 | 2.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(N)=O)cc1 | 10.1021/jm050557v | ||
| CHEMBL197298 | 78731 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 504 | 8 | 3 | 4 | 2.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(N)=O)cc1 | 10.1021/jm050557v | ||
| 44275003 | 105446 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 641 | 12 | 3 | 6 | 4.1 | CC(=O)CCCC(=O)NC1N=C(C2CCCCC2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL277425 | 105446 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 641 | 12 | 3 | 6 | 4.1 | CC(=O)CCCC(=O)NC1N=C(C2CCCCC2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 44279509 | 106526 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 496 | 6 | 1 | 6 | 3.0 | CS(=O)(=O)NCCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL285013 | 106526 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 496 | 6 | 1 | 6 | 3.0 | CS(=O)(=O)NCCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| 11525173 | 77089 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 447 | 7 | 2 | 3 | 3.9 | CC(C)C[C@@H]1CN[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1 | 10.1021/jm050557v | ||
| CHEMBL194431 | 77089 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 447 | 7 | 2 | 3 | 3.9 | CC(C)C[C@@H]1CN[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1 | 10.1021/jm050557v | ||
| 44275048 | 101519 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 524 | 11 | 2 | 5 | 3.4 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccccc2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL25310 | 101519 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 524 | 11 | 2 | 5 | 3.4 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccccc2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 2213 | 7306 | 46 | None | -46 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 3008 | 7306 | 46 | None | -46 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 5311010 | 7306 | 46 | None | -46 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 68613 | 7306 | 46 | None | -46 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| CHEMBL378642 | 7306 | 46 | None | -46 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| CHEMBL382301 | 7306 | 46 | None | -46 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| DB09059 | 7306 | 46 | None | -46 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 10208363 | 79157 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 523 | 9 | 1 | 6 | 2.7 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2C(N)=O)c2ccc(OC)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL198622 | 79157 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 523 | 9 | 1 | 6 | 2.7 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2C(N)=O)c2ccc(OC)cc2)cc1 | 10.1021/jm050645f | ||
| 53358903 | 69142 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | 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 | 6.5 | pKi | = | 6.5 | 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 | ||
| 135461396 | 85840 | 0 | None | 3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 626 | 13 | 2 | 8 | 2.2 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)N(CC(N)=O)c3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113196 | 85840 | 0 | None | 3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 626 | 13 | 2 | 8 | 2.2 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)N(CC(N)=O)c3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 145976595 | 170494 | 0 | None | -8 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4205046 | 170494 | 0 | None | -8 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 11366713 | 144000 | 0 | None | -724 | 8 | Human | 6.5 | pKi | = | 6.5 | 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 | -724 | 8 | Human | 6.5 | pKi | = | 6.5 | 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 | ||
| 44275617 | 104023 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 410 | 5 | 0 | 5 | 3.4 | COc1ccc(CC(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL26877 | 104023 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 410 | 5 | 0 | 5 | 3.4 | COc1ccc(CC(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL338308 | 218387 | 0 | None | -4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 135469685 | 85854 | 0 | None | -4 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 10 | 2 | 7 | 3.0 | COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113211 | 85854 | 0 | None | -4 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 10 | 2 | 7 | 3.0 | COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL3814120 | 219062 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | 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](CC(C)C)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 44361403 | 40619 | 1 | None | -14 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 4.1 | CC(=O)N1CCCC(COc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)C1 | 10.1021/jm00023a002 | ||
| CHEMBL142324 | 40619 | 1 | None | -14 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 4.1 | CC(=O)N1CCCC(COc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)C1 | 10.1021/jm00023a002 | ||
| 145964296 | 170905 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.1 | O=C(c1ccc(-c2ncccn2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4209952 | 170905 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.1 | O=C(c1ccc(-c2ncccn2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 44419039 | 144174 | 0 | None | -27542 | 8 | Rat | 5.5 | pKi | = | 5.5 | 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 | -27542 | 8 | Rat | 5.5 | pKi | = | 5.5 | 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 | ||
| 10602875 | 210325 | 0 | None | -1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 4.9 | COc1cc(OC2CCN(Cc3ccccn3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL66567 | 210325 | 0 | None | -1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 4.9 | COc1cc(OC2CCN(Cc3ccccn3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 44275233 | 105672 | 0 | None | -3 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 6 | 0 | 6 | 3.8 | COc1cc(OC2CCN(C(C)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL279230 | 105672 | 0 | None | -3 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 6 | 0 | 6 | 3.8 | COc1cc(OC2CCN(C(C)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 135461089 | 79674 | 6 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 478 | 8 | 2 | 6 | 4.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL200403 | 79674 | 6 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 478 | 8 | 2 | 6 | 4.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| 135438380 | 85855 | 0 | None | 58 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 510 | 8 | 2 | 5 | 4.0 | CCCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113212 | 85855 | 0 | None | 58 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 510 | 8 | 2 | 5 | 4.0 | CCCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2369848 | 216489 | 0 | None | -77 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 44275617 | 104023 | 0 | None | -1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 410 | 5 | 0 | 5 | 3.4 | COc1ccc(CC(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL26877 | 104023 | 0 | None | -1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 410 | 5 | 0 | 5 | 3.4 | COc1ccc(CC(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(99)00181-x | ||
| 135446051 | 85847 | 0 | None | 13 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 474 | 6 | 2 | 6 | 3.1 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113204 | 85847 | 0 | None | 13 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 474 | 6 | 2 | 6 | 3.1 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 16109447 | 90126 | 0 | None | -40 | 4 | Rat | 7.4 | pKi | = | 7.4 | 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 | 7.4 | pKi | = | 7.4 | 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 | ||
| 145970757 | 171564 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 4 | 0 | 1 | 5.0 | CCCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4218211 | 171564 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 4 | 0 | 1 | 5.0 | CCCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 44297505 | 172636 | 0 | None | -181 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL424905 | 172636 | 0 | None | -181 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 9981665 | 125255 | 4 | None | 1 | 6 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm901812z | ||
| CHEMBL341339 | 125255 | 4 | None | 1 | 6 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm901812z | ||
| 54584268 | 67962 | 0 | None | -446 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | -446 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | ||
| 53364234 | 70831 | 0 | None | -1584 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 485 | 8 | 2 | 3 | 4.2 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| CHEMBL1807273 | 70831 | 0 | None | -1584 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 485 | 8 | 2 | 3 | 4.2 | CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.05.092 | ||
| 145965794 | 171152 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 462 | 5 | 3 | 7 | 2.6 | COC(=O)CNC(=O)NCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4212928 | 171152 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 462 | 5 | 3 | 7 | 2.6 | COC(=O)CNC(=O)NCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1C | 10.1021/acs.jmedchem.8b00697 | ||
| 44279555 | 109028 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 510 | 6 | 0 | 6 | 3.3 | CN(CCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21)S(C)(=O)=O | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL30315 | 109028 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 510 | 6 | 0 | 6 | 3.3 | CN(CCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21)S(C)(=O)=O | 10.1016/s0960-894x(02)00159-2 | ||
| 44280013 | 109763 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 461 | 5 | 1 | 5 | 3.9 | CC(=O)NCCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL30667 | 109763 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 461 | 5 | 1 | 5 | 3.9 | CC(=O)NCCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| 56950590 | 81822 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 545 | 8 | 2 | 4 | 4.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1OC(F)(F)F | 10.1021/jm201287w | ||
| CHEMBL2035014 | 81822 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 545 | 8 | 2 | 4 | 4.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1OC(F)(F)F | 10.1021/jm201287w | ||
| 56950591 | 81823 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 537 | 8 | 2 | 3 | 5.1 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1-c1ccccc1 | 10.1021/jm201287w | ||
| CHEMBL2035015 | 81823 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 537 | 8 | 2 | 3 | 5.1 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1-c1ccccc1 | 10.1021/jm201287w | ||
| 44456003 | 104412 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 508 | 8 | 3 | 5 | 2.4 | CNC(=O)c1ccc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)o1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL271057 | 104412 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 508 | 8 | 3 | 5 | 2.4 | CNC(=O)c1ccc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)o1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44581682 | 196324 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 452 | 8 | 0 | 8 | 3.5 | COc1ccc(S(=O)(=O)N(Cc2noc(-c3ccccc3)n2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL514287 | 196324 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 452 | 8 | 0 | 8 | 3.5 | COc1ccc(S(=O)(=O)N(Cc2noc(-c3ccccc3)n2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44581647 | 196467 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 438 | 7 | 0 | 7 | 4.0 | COc1ccc(N(Cc2nc(-c3ccccc3)cs2)S(=O)(=O)c2ccccn2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL515384 | 196467 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 438 | 7 | 0 | 7 | 4.0 | COc1ccc(N(Cc2nc(-c3ccccc3)cs2)S(=O)(=O)c2ccccn2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| 2213 | 7306 | 46 | None | -46 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| 3008 | 7306 | 46 | None | -46 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| 5311010 | 7306 | 46 | None | -46 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| 68613 | 7306 | 46 | None | -46 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| CHEMBL378642 | 7306 | 46 | None | -46 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| CHEMBL382301 | 7306 | 46 | None | -46 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| DB09059 | 7306 | 46 | None | -46 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| 11591519 | 78896 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 505 | 7 | 2 | 4 | 3.8 | COc1ccc([C@@H](C(=O)NC(C)(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| CHEMBL197822 | 78896 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 505 | 7 | 2 | 4 | 3.8 | COc1ccc([C@@H](C(=O)NC(C)(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| 2213 | 7306 | 46 | None | -28 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| 3008 | 7306 | 46 | None | -28 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| 5311010 | 7306 | 46 | None | -28 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| 68613 | 7306 | 46 | None | -28 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| CHEMBL378642 | 7306 | 46 | None | -28 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| CHEMBL382301 | 7306 | 46 | None | -28 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| DB09059 | 7306 | 46 | None | -28 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060073e | ||||
| 44274659 | 102727 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 650 | 10 | 3 | 7 | 2.2 | NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)CN1C(=O)C(NC(=O)CN2CCOCC2)N=C(c2ccccc2)c2ccccc21 | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL25942 | 102727 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 650 | 10 | 3 | 7 | 2.2 | NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)CN1C(=O)C(NC(=O)CN2CCOCC2)N=C(c2ccccc2)c2ccccc21 | 10.1016/s0960-894x(01)00202-5 | ||
| 44275210 | 101807 | 0 | None | 4 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL25502 | 101807 | 0 | None | 4 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 47177173 | 171221 | 1 | None | -8 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 377 | 1 | 0 | 1 | 4.3 | O=C(c1ccc(I)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4213812 | 171221 | 1 | None | -8 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 377 | 1 | 0 | 1 | 4.3 | O=C(c1ccc(I)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 2213 | 7306 | 46 | None | -46 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 3008 | 7306 | 46 | None | -46 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 5311010 | 7306 | 46 | None | -46 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 68613 | 7306 | 46 | None | -46 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| CHEMBL378642 | 7306 | 46 | None | -46 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| CHEMBL382301 | 7306 | 46 | None | -46 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| DB09059 | 7306 | 46 | None | -46 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 44279752 | 110371 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 564 | 5 | 0 | 6 | 4.4 | Cc1c(C)n(C[C@H]2CCCN2S(C)(=O)=O)c2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc12 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL30865 | 110371 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 564 | 5 | 0 | 6 | 4.4 | Cc1c(C)n(C[C@H]2CCCN2S(C)(=O)=O)c2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc12 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279348 | 114029 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 2 | 0 | 4 | 4.2 | O=C(c1ccc2ccoc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31691 | 114029 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 2 | 0 | 4 | 4.2 | O=C(c1ccc2ccoc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279454 | 114215 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 460 | 5 | 1 | 5 | 3.5 | CC(=O)NCCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31823 | 114215 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 460 | 5 | 1 | 5 | 3.5 | CC(=O)NCCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279519 | 117397 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 511 | 6 | 0 | 7 | 2.7 | CN(CCn1cnc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21)S(C)(=O)=O | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL32567 | 117397 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 511 | 6 | 0 | 7 | 2.7 | CN(CCn1cnc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21)S(C)(=O)=O | 10.1016/s0960-894x(02)00159-2 | ||
| 2253 | 9012 | 20 | None | -5 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm9800797 | ||
| 5311202 | 9012 | 20 | None | -5 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm9800797 | ||
| CHEMBL306645 | 9012 | 20 | None | -5 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm9800797 | ||
| 10579886 | 110387 | 0 | None | -4 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 632 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL308673 | 110387 | 0 | None | -4 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 632 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 11340891 | 10094 | 30 | None | 891 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| 8403 | 10094 | 30 | None | 891 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL429736 | 10094 | 30 | None | 891 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| DB11818 | 10094 | 30 | None | 891 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| 135530014 | 85834 | 0 | None | 151 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 526 | 9 | 3 | 6 | 2.9 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113179 | 85834 | 0 | None | 151 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 526 | 9 | 3 | 6 | 2.9 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 10651439 | 109681 | 0 | None | 2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 614 | 7 | 0 | 7 | 5.1 | COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL306010 | 109681 | 0 | None | 2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 614 | 7 | 0 | 7 | 5.1 | COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 44297632 | 108793 | 0 | None | 57 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 780 | 6 | 3 | 6 | 2.9 | CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)N2CCN(CC2)C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||
| CHEMBL301708 | 108793 | 0 | None | 57 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 780 | 6 | 3 | 6 | 2.9 | CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)N2CCN(CC2)C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||
| 10555563 | 108887 | 0 | None | -4 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 600 | 7 | 0 | 7 | 4.8 | COc1cc(OC2CCN(Cc3c(C)cc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL302297 | 108887 | 0 | None | -4 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 600 | 7 | 0 | 7 | 4.8 | COc1cc(OC2CCN(Cc3c(C)cc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 15840433 | 101217 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 448 | 5 | 0 | 4 | 4.3 | O=C(Cc1ccccc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL25120 | 101217 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 448 | 5 | 0 | 4 | 4.3 | O=C(Cc1ccccc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL435021 | 220440 | 2 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 2252 | 9011 | 48 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| 6918320 | 9011 | 48 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| CHEMBL24781 | 9011 | 48 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| 135493119 | 85844 | 0 | None | -4 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 569 | 11 | 2 | 7 | 3.3 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113201 | 85844 | 0 | None | -4 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 569 | 11 | 2 | 7 | 3.3 | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 2252 | 9011 | 48 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| 6918320 | 9011 | 48 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| CHEMBL24781 | 9011 | 48 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| CHEMBL435021 | 220440 | 2 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 2252 | 9011 | 48 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm9800797 | ||
| 6918320 | 9011 | 48 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm9800797 | ||
| CHEMBL24781 | 9011 | 48 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm9800797 | ||
| 10651225 | 110148 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 600 | 6 | 0 | 7 | 5.5 | COc1cc(OC2CCN(C3CCc4ncccc43)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL308460 | 110148 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 600 | 6 | 0 | 7 | 5.5 | COc1cc(OC2CCN(C3CCc4ncccc43)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 44297516 | 168070 | 0 | None | -22 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL412192 | 168070 | 0 | None | -22 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 2253 | 9012 | 20 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| 5311202 | 9012 | 20 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| CHEMBL306645 | 9012 | 20 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| 16109440 | 168395 | 0 | None | -162 | 4 | Rat | 7.4 | pKi | = | 7.4 | 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 | 7.4 | pKi | = | 7.4 | 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 | ||
| 145970269 | 170361 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 475 | 5 | 3 | 6 | 2.5 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=O)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4203314 | 170361 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 475 | 5 | 3 | 6 | 2.5 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=O)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 54584476 | 69146 | 0 | None | -32 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | 7.4 | pKi | = | 7.4 | 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 | ||
| 16109444 | 168228 | 0 | None | -537 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1037 | 16 | 11 | 14 | -1.3 | NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL412742 | 168228 | 0 | None | -537 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1037 | 16 | 11 | 14 | -1.3 | NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 44335300 | 11411 | 0 | None | -5 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 486 | 6 | 0 | 5 | 5.6 | COc1cc(OC(C)c2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL102994 | 11411 | 0 | None | -5 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 486 | 6 | 0 | 5 | 5.6 | COc1cc(OC(C)c2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| 151171 | 7947 | 50 | None | -28 | 6 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 216322 | 7947 | 50 | None | -28 | 6 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 2203 | 7947 | 50 | None | -28 | 6 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 732 | 7947 | 50 | None | -28 | 6 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL1755 | 7947 | 50 | None | -28 | 6 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| DB00872 | 7947 | 50 | None | -28 | 6 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 135399794 | 85838 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 506 | 8 | 2 | 6 | 3.5 | CCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)C(C)C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113194 | 85838 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 506 | 8 | 2 | 6 | 3.5 | CCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)C(C)C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 | 10.1021/jm050645f | ||
| 54585429 | 69150 | 0 | None | -7 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | 7.4 | pKi | = | 7.4 | 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 | ||
| 54586391 | 69151 | 0 | None | -54 | 2 | Human | 7.4 | pKi | = | 7.4 | 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 | 7.4 | pKi | = | 7.4 | 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 | ||
| 999998 | 147409 | 11 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 420 | 5 | 0 | 3 | 3.8 | Cc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL381433 | 147409 | 11 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 420 | 5 | 0 | 3 | 3.8 | Cc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| 44316235 | 167207 | 0 | None | -7 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | -7 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | ||
| 44419029 | 103685 | 0 | None | -12022 | 4 | Rat | 6.3 | pKi | = | 6.3 | 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 | -12022 | 4 | Rat | 6.3 | pKi | = | 6.3 | 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 | ||
| CHEMBL2369834 | 216478 | 0 | None | -37 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | ||||
| CHEMBL2372926 | 217093 | 0 | None | 5 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N(C)C(=O)[C@@H]3CCCCN3C(=O)[C@H]3CCCCN3C(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm00169a001 | ||||
| CHEMBL2372928 | 217095 | 0 | None | 10 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| CHEMBL339493 | 218405 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| 135644174 | 78582 | 7 | None | -8 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 3.8 | C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1O | 10.1021/jm050645f | ||
| CHEMBL196816 | 78582 | 7 | None | -8 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 3.8 | C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1O | 10.1021/jm050645f | ||
| 71451752 | 89154 | 0 | None | -9 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1295 | 30 | 4 | 17 | 7.6 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCCn4cc(CNC(=O)CCC(=O)NC5CCCN(C(=O)c6ccc(NC(=O)c7ccccc7C)cc6)c6ccccc65)nn4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2172293 | 89154 | 0 | None | -9 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1295 | 30 | 4 | 17 | 7.6 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCCn4cc(CNC(=O)CCC(=O)NC5CCCN(C(=O)c6ccc(NC(=O)c7ccccc7C)cc6)c6ccccc65)nn4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| 16051933 | 144908 | 4 | None | -25 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | -25 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | -25 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
| 11408910 | 77074 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 6 | 2 | 3 | 3.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccccc1 | 10.1021/jm050557v | ||
| CHEMBL194374 | 77074 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 6 | 2 | 3 | 3.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccccc1 | 10.1021/jm050557v | ||
| 11577662 | 78572 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 559 | 7 | 2 | 4 | 4.7 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(OC(F)(F)F)cc1 | 10.1021/jm050557v | ||
| CHEMBL196780 | 78572 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 559 | 7 | 2 | 4 | 4.7 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(OC(F)(F)F)cc1 | 10.1021/jm050557v | ||
| 11663715 | 79078 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 529 | 7 | 2 | 3 | 4.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)cc1 | 10.1021/jm050557v | ||
| CHEMBL198329 | 79078 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 529 | 7 | 2 | 3 | 4.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)cc1 | 10.1021/jm050557v | ||
| 56949908 | 82097 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 460 | 6 | 1 | 4 | 2.4 | Cc1ccc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC2CC2)cn1 | 10.1021/jm201287w | ||
| CHEMBL2037494 | 82097 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 460 | 6 | 1 | 4 | 2.4 | Cc1ccc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC2CC2)cn1 | 10.1021/jm201287w | ||
| 56949909 | 82098 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 502 | 6 | 1 | 5 | 2.2 | Cc1ccc([C@H](C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC2CC2)cn1 | 10.1021/jm201287w | ||
| CHEMBL2037495 | 82098 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 502 | 6 | 1 | 5 | 2.2 | Cc1ccc([C@H](C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC2CC2)cn1 | 10.1021/jm201287w | ||
| 10627414 | 210561 | 0 | None | 5 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 600 | 7 | 0 | 7 | 4.8 | COc1cc(OC2CCN(Cc3c[n+]([O-])c(C)cc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL68199 | 210561 | 0 | None | 5 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 600 | 7 | 0 | 7 | 4.8 | COc1cc(OC2CCN(Cc3c[n+]([O-])c(C)cc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10531717 | 109736 | 0 | None | -4 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 604 | 7 | 0 | 7 | 4.6 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL306416 | 109736 | 0 | None | -4 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 604 | 7 | 0 | 7 | 4.6 | COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL2112249 | 216015 | 1 | None | -8 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10483105 | 97455 | 1 | None | 34 | 4 | Human | 8.3 | pKi | = | 8.3 | 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 | 34 | 4 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
| 10722297 | 210242 | 0 | None | 5 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 600 | 7 | 0 | 7 | 4.8 | COc1cc(OC2CCN(Cc3ccc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL65949 | 210242 | 0 | None | 5 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 600 | 7 | 0 | 7 | 4.8 | COc1cc(OC2CCN(Cc3ccc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL54443 | 222497 | 0 | None | 70 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCNCN2C1=O | 10.1021/jm00169a001 | ||||
| 10005688 | 11843 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 487 | 6 | 0 | 6 | 5.0 | COc1cc(OC(C)c2cccnc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL105406 | 11843 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 487 | 6 | 0 | 6 | 5.0 | COc1cc(OC(C)c2cccnc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL3814395 | 219066 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC)CSSC[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.2016.05.062 | ||||
| 10746141 | 210243 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 600 | 6 | 0 | 7 | 4.1 | COc1cc(OC2CCN(C(=O)c3ccc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL65950 | 210243 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 600 | 6 | 0 | 7 | 4.1 | COc1cc(OC2CCN(C(=O)c3ccc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 57519947 | 80425 | 0 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | 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 | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
| CHEMBL300103 | 217686 | 0 | None | 81 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCNCN2C1=O | 10.1021/jm00169a001 | ||||
| 52947410 | 23786 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 390 | 4 | 0 | 6 | 3.9 | CO/N=C1/C[C@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 | 10.1021/jm901812z | ||
| CHEMBL1254210 | 23786 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 390 | 4 | 0 | 6 | 3.9 | CO/N=C1/C[C@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 | 10.1021/jm901812z | ||
| 145962220 | 168356 | 0 | None | 33 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4129142 | 168356 | 0 | None | 33 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 44279980 | 105920 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 621 | 6 | 1 | 7 | 4.4 | Cn1c(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc21 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL281106 | 105920 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 621 | 6 | 1 | 7 | 4.4 | Cn1c(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc21 | 10.1016/s0960-894x(02)00160-9 | ||
| 11691416 | 77357 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 475 | 7 | 2 | 3 | 3.7 | Cc1ccc([C@@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| CHEMBL194922 | 77357 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 475 | 7 | 2 | 3 | 3.7 | Cc1ccc([C@@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1 | 10.1021/jm050557v | ||
| 11641200 | 104958 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 461 | 7 | 2 | 3 | 3.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccccc1 | 10.1021/jm050557v | ||
| CHEMBL273988 | 104958 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 461 | 7 | 2 | 3 | 3.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccccc1 | 10.1021/jm050557v | ||
| 11519251 | 173093 | 0 | None | 3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 521 | 9 | 1 | 5 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2CC(N)=O)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL427190 | 173093 | 0 | None | 3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 521 | 9 | 1 | 5 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2CC(N)=O)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 44274621 | 103466 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 601 | 9 | 3 | 6 | 2.3 | CS(=O)(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL26398 | 103466 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 601 | 9 | 3 | 6 | 2.3 | CS(=O)(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 135506374 | 144678 | 23 | None | -1 | 3 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.7b00965 | ||
| CHEMBL3763342 | 144678 | 23 | None | -1 | 3 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.7b00965 | ||
| 11692335 | 78759 | 0 | None | 3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 537 | 10 | 1 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2CC(N)=O)c2ccc(OC)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL197378 | 78759 | 0 | None | 3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 537 | 10 | 1 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2CC(N)=O)c2ccc(OC)cc2)cc1 | 10.1021/jm050645f | ||
| 44275244 | 102009 | 0 | None | -2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 424 | 6 | 0 | 5 | 3.8 | COc1ccc(CCC(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL25611 | 102009 | 0 | None | -2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 424 | 6 | 0 | 5 | 3.8 | COc1ccc(CCC(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(99)00181-x | ||
| 10650710 | 210351 | 0 | None | -3 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 570 | 7 | 0 | 7 | 5.5 | COc1cc(OC2CCN(C(C)c3cccnc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL66749 | 210351 | 0 | None | -3 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 570 | 7 | 0 | 7 | 5.5 | COc1cc(OC2CCN(C(C)c3cccnc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 9981665 | 125255 | 4 | None | -1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm901812z | ||
| CHEMBL341339 | 125255 | 4 | None | -1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm901812z | ||
| 19691009 | 114210 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 535 | 6 | 0 | 6 | 4.5 | COc1cc(OC(C)C2CCN(C(C)=O)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL318174 | 114210 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 535 | 6 | 0 | 6 | 4.5 | COc1cc(OC(C)C2CCN(C(C)=O)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL2372251 | 216982 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SS[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/jm990090m | ||||
| 16109445 | 144022 | 0 | None | -213 | 4 | Rat | 7.3 | pKi | = | 7.3 | 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 | 7.3 | pKi | = | 7.3 | 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 | ||
| 16109438 | 103352 | 0 | None | -181 | 5 | Rat | 6.3 | pKi | = | 6.3 | 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 | -181 | 5 | Rat | 6.3 | pKi | = | 6.3 | 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 | ||
| 45483204 | 204666 | 0 | None | -19 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | -19 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | -19 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | -19 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | ||
| 44316236 | 212304 | 0 | None | -24 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | -24 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | ||
| 44243143 | 23796 | 0 | None | 8 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 372 | 5 | 0 | 6 | 4.3 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cn1 | 10.1021/jm901812z | ||
| CHEMBL1254297 | 23796 | 0 | None | 8 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 372 | 5 | 0 | 6 | 4.3 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cn1 | 10.1021/jm901812z | ||
| 44334971 | 11376 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 500 | 7 | 0 | 5 | 6.0 | CCC(Oc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1)c1ccccc1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL102762 | 11376 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 500 | 7 | 0 | 5 | 6.0 | CCC(Oc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1)c1ccccc1 | 10.1016/s0960-894x(98)00568-x | ||
| 135506374 | 144678 | 23 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763342 | 144678 | 23 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1016/j.ejmech.2015.11.050 | ||
| 135506374 | 144678 | 23 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.7b00965 | ||
| CHEMBL3763342 | 144678 | 23 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.7b00965 | ||
| 135506374 | 144678 | 23 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 144678 | 23 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 16109437 | 91079 | 0 | None | -309 | 5 | Rat | 6.2 | pKi | = | 6.2 | 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 | -309 | 5 | Rat | 6.2 | pKi | = | 6.2 | 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 | ||
| 11083629 | 127099 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1023 | 17 | 11 | 15 | -1.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSSC[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/jm9607156 | ||
| CHEMBL352836 | 127099 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1023 | 17 | 11 | 15 | -1.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSSC[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/jm9607156 | ||
| 15840433 | 101217 | 0 | None | -1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 448 | 5 | 0 | 4 | 4.3 | O=C(Cc1ccccc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL25120 | 101217 | 0 | None | -1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 448 | 5 | 0 | 4 | 4.3 | O=C(Cc1ccccc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL1790937 | 215685 | 0 | None | 2 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| CHEMBL338308 | 218387 | 0 | None | 4 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 11257380 | 185393 | 0 | None | 64 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1021/jm901812z | ||
| CHEMBL467378 | 185393 | 0 | None | 64 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 0 | 7 | 3.6 | COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 | 10.1021/jm901812z | ||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 136961690 | 125372 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 412 | 3 | 1 | 6 | 4.2 | Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm501395b | ||
| CHEMBL3416757 | 125372 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 412 | 3 | 1 | 6 | 4.2 | Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm501395b | ||
| 56668257 | 69989 | 0 | None | 35 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1484 | 18 | 15 | 21 | 3.2 | CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790713 | 69989 | 0 | None | 35 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1484 | 18 | 15 | 21 | 3.2 | CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| 44279179 | 106861 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 540 | 6 | 1 | 7 | 3.7 | O=C(Cn1ccccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL287325 | 106861 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 540 | 6 | 1 | 7 | 3.7 | O=C(Cn1ccccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279411 | 113700 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 545 | 6 | 2 | 7 | 2.4 | O=C(CN1C(=O)CNC1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31476 | 113700 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 545 | 6 | 2 | 7 | 2.4 | O=C(CN1C(=O)CNC1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44456382 | 104213 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 7 | 2 | 4 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1cccs1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL270013 | 104213 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 7 | 2 | 4 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1cccs1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44456036 | 104457 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 3.0 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccco1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL271266 | 104457 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 3.0 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccco1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44456034 | 161862 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(C)n1 | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL401858 | 161862 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(C)n1 | 10.1016/j.bmcl.2007.11.008 | ||
| 44581266 | 182174 | 0 | None | 7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3F)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL457544 | 182174 | 0 | None | 7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3F)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44581686 | 196358 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 523 | 8 | 0 | 7 | 4.3 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL514586 | 196358 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 523 | 8 | 0 | 7 | 4.3 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| 2252 | 9011 | 48 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(02)00160-9 | ||
| 6918320 | 9011 | 48 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL24781 | 9011 | 48 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(02)00160-9 | ||
| 44279909 | 105908 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 590 | 6 | 1 | 7 | 4.8 | O=C(Cn1ccc2ccccc2c1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL281044 | 105908 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 590 | 6 | 1 | 7 | 4.8 | O=C(Cn1ccc2ccccc2c1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 44279710 | 106141 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 626 | 6 | 1 | 7 | 4.8 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccc(F)cc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL282494 | 106141 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 626 | 6 | 1 | 7 | 4.8 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccc(F)cc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 44279711 | 106231 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 626 | 6 | 1 | 7 | 4.8 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5cc(F)ccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL283039 | 106231 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 626 | 6 | 1 | 7 | 4.8 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5cc(F)ccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 44279179 | 106861 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 540 | 6 | 1 | 7 | 3.7 | O=C(Cn1ccccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL287325 | 106861 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 540 | 6 | 1 | 7 | 3.7 | O=C(Cn1ccccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 11613469 | 76612 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 532 | 7 | 3 | 4 | 3.8 | CC(=O)Nc1cccc([C@H](C(=O)NC(C)(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)c1 | 10.1021/jm050557v | ||
| CHEMBL193773 | 76612 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 532 | 7 | 3 | 4 | 3.8 | CC(=O)Nc1cccc([C@H](C(=O)NC(C)(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)c1 | 10.1021/jm050557v | ||
| CHEMBL2112249 | 216015 | 1 | None | -8 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 136961690 | 125372 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 412 | 3 | 1 | 6 | 4.2 | Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm501395b | ||
| CHEMBL3416757 | 125372 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 412 | 3 | 1 | 6 | 4.2 | Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm501395b | ||
| 10699323 | 210717 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 640 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL69265 | 210717 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 640 | 7 | 0 | 7 | 5.2 | COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL3814165 | 219064 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](N)CSSC[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.2016.05.062 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.11.064 | ||||
| 135475964 | 79651 | 0 | None | 53 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 9 | 2 | 6 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL200329 | 79651 | 0 | None | 53 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 9 | 2 | 6 | 3.4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 145974527 | 171539 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 491 | 5 | 3 | 6 | 3.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4217872 | 171539 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 491 | 5 | 3 | 6 | 3.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 135414288 | 85856 | 0 | None | 79 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 524 | 6 | 2 | 5 | 4.3 | CC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113213 | 85856 | 0 | None | 79 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 524 | 6 | 2 | 5 | 4.3 | CC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 10413997 | 9005 | 5 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 10.1021/jm00077a002 | ||
| 2246 | 9005 | 5 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 10.1021/jm00077a002 | ||
| CHEMBL338522 | 9005 | 5 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 10.1021/jm00077a002 | ||
| 54581528 | 69147 | 0 | None | -16 | 3 | Human | 7.2 | pKi | = | 7.2 | 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 | 7.2 | pKi | = | 7.2 | 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 | ||
| 1107812 | 79206 | 10 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 488 | 8 | 1 | 5 | 4.8 | COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccc(C)cc2)cc1OC | 10.1021/jm050645f | ||
| CHEMBL198780 | 79206 | 10 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 488 | 8 | 1 | 5 | 4.8 | COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccc(C)cc2)cc1OC | 10.1021/jm050645f | ||
| 10411308 | 208013 | 0 | None | -39 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm3006146 | ||
| CHEMBL603708 | 208013 | 0 | None | -39 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm3006146 | ||
| 44279151 | 106188 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 552 | 5 | 0 | 7 | 3.3 | CS(=O)(=O)N1CCN(Cc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL282781 | 106188 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 552 | 5 | 0 | 7 | 3.3 | CS(=O)(=O)N1CCN(Cc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279568 | 106817 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 474 | 5 | 0 | 5 | 3.9 | CC(=O)N(C)CCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL286979 | 106817 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 474 | 5 | 0 | 5 | 3.9 | CC(=O)N(C)CCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279165 | 112915 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 447 | 4 | 1 | 5 | 3.8 | CC(=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31350 | 112915 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 447 | 4 | 1 | 5 | 3.8 | CC(=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279483 | 113894 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 3 | 0 | 5 | 4.9 | CC(=O)N1CCC(c2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31606 | 113894 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 3 | 0 | 5 | 4.9 | CC(=O)N1CCC(c2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44581683 | 182941 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 2.9 | COc1ccc(N(Cc2nc(-c3ccccc3)no2)S(=O)(=O)c2ccccn2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL459291 | 182941 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 2.9 | COc1ccc(N(Cc2nc(-c3ccccc3)no2)S(=O)(=O)c2ccccn2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44581684 | 196302 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 437 | 7 | 0 | 6 | 4.6 | COc1ccc(N(Cc2csc(-c3ccccc3)n2)S(=O)(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL514113 | 196302 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 437 | 7 | 0 | 6 | 4.6 | COc1ccc(N(Cc2csc(-c3ccccc3)n2)S(=O)(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44279795 | 106784 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 628 | 5 | 0 | 7 | 6.5 | O=C(c1ccc2oc(-c3cncc(Cn4cc(C(F)(F)F)ccc4=O)c3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL286771 | 106784 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 628 | 5 | 0 | 7 | 6.5 | O=C(c1ccc2oc(-c3cncc(Cn4cc(C(F)(F)F)ccc4=O)c3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00160-9 | ||
| 11598556 | 77090 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 9 | 1 | 3 | 4.3 | C=CCN1C(=O)[C@@H](CC(C)C)N([C@@H](C(=O)NC(C)C)c2ccccc2)C(=O)[C@H]1C1Cc2ccccc2C1 | 10.1021/jm050557v | ||
| CHEMBL194432 | 77090 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 9 | 1 | 3 | 4.3 | C=CCN1C(=O)[C@@H](CC(C)C)N([C@@H](C(=O)NC(C)C)c2ccccc2)C(=O)[C@H]1C1Cc2ccccc2C1 | 10.1021/jm050557v | ||
| 11488952 | 84359 | 0 | None | -31 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 7 | 2 | 4 | 4.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc2occc2c1 | 10.1021/jm060073e | ||
| CHEMBL208787 | 84359 | 0 | None | -31 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 7 | 2 | 4 | 4.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc2occc2c1 | 10.1021/jm060073e | ||
| 135520373 | 85845 | 0 | None | 56 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 513 | 8 | 2 | 7 | 2.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113202 | 85845 | 0 | None | 56 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 513 | 8 | 2 | 7 | 2.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 44419030 | 168393 | 19 | None | -407 | 4 | Rat | 7.2 | pKi | = | 7.2 | 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 | 7.2 | pKi | = | 7.2 | 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 | ||
| 135520373 | 85845 | 0 | None | 56 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 513 | 8 | 2 | 7 | 2.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| CHEMBL2113202 | 85845 | 0 | None | 56 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 513 | 8 | 2 | 7 | 2.8 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| 10721511 | 109449 | 0 | None | -2 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 5.5 | COc1cc(OC2CCN(Cc3ccccc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL304577 | 109449 | 0 | None | -2 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 5.5 | COc1cc(OC2CCN(Cc3ccccc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 119369 | 9384 | 74 | None | -6 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm3006146 | ||
| 2197 | 9384 | 74 | None | -6 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm3006146 | ||
| 4004 | 9384 | 74 | None | -6 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm3006146 | ||
| CHEMBL420762 | 9384 | 74 | None | -6 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm3006146 | ||
| CHEMBL2369835 | 216479 | 0 | None | -4 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 71451749 | 89149 | 0 | None | -38 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1205 | 25 | 7 | 15 | 9.2 | O=C(CCC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21)NCc1cn(CCOCCOCCOCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)nn1 | 10.1021/jm3006146 | ||
| CHEMBL2172288 | 89149 | 0 | None | -38 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1205 | 25 | 7 | 15 | 9.2 | O=C(CCC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21)NCc1cn(CCOCCOCCOCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)nn1 | 10.1021/jm3006146 | ||
| 135515655 | 16839 | 7 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 423 | 7 | 2 | 5 | 3.0 | Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL115305 | 16839 | 7 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 423 | 7 | 2 | 5 | 3.0 | Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| 135537472 | 79768 | 4 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 3.4 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O | 10.1021/jm050645f | ||
| CHEMBL200792 | 79768 | 4 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 3.4 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O | 10.1021/jm050645f | ||
| CHEMBL3813858 | 219059 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | 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)[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 145974638 | 171373 | 0 | None | -4 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 2 | 1 | 4 | 3.7 | Cc1ccn(-c2ccc(C(=O)N3CCCC(O)c4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4215696 | 171373 | 0 | None | -4 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 2 | 1 | 4 | 3.7 | Cc1ccn(-c2ccc(C(=O)N3CCCC(O)c4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 44361522 | 128473 | 0 | None | -12 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 477 | 4 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1021/jm00023a002 | ||
| CHEMBL358793 | 128473 | 0 | None | -12 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 477 | 4 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1021/jm00023a002 | ||
| 10579644 | 210711 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 612 | 6 | 0 | 7 | 5.0 | COc1cc(OC2CCN(C3CCCc4c3ccc[n+]4[O-])CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL69201 | 210711 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 612 | 6 | 0 | 7 | 5.0 | COc1cc(OC2CCN(C3CCCc4c3ccc[n+]4[O-])CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 135508167 | 85833 | 0 | None | 3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 596 | 10 | 3 | 8 | 2.8 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113177 | 85833 | 0 | None | 3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 596 | 10 | 3 | 8 | 2.8 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 135469685 | 85854 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 542 | 10 | 2 | 7 | 3.0 | COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL2113211 | 85854 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 542 | 10 | 2 | 7 | 3.0 | COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm050645f | ||
| 54586392 | 69153 | 0 | None | -177 | 3 | Human | 8.2 | pKi | = | 8.2 | 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 | 8.2 | pKi | = | 8.2 | 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 | ||
| 135469685 | 85854 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 542 | 10 | 2 | 7 | 3.0 | COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| CHEMBL2113211 | 85854 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 542 | 10 | 2 | 7 | 3.0 | COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1039/C5MD00566C | ||
| CHEMBL1790546 | 215675 | 0 | None | 85 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||||
| 2241 | 8999 | 1 | None | -2 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| 9810632 | 8999 | 1 | None | -2 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| CHEMBL127686 | 8999 | 1 | None | -2 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| 2241 | 8999 | 1 | None | -2 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00169a001 | ||||
| 9810632 | 8999 | 1 | None | -2 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00169a001 | ||||
| CHEMBL127686 | 8999 | 1 | None | -2 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00169a001 | ||||
| 11756466 | 11860 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 521 | 6 | 0 | 6 | 4.4 | COc1cc(O[C@H](C)c2cc[n+]([O-])cc2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL105514 | 11860 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 521 | 6 | 0 | 6 | 4.4 | COc1cc(O[C@H](C)c2cc[n+]([O-])cc2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| 53319051 | 63115 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1174 | 17 | 12 | 13 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Te][Te]C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL1630525 | 63115 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1174 | 17 | 12 | 13 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Te][Te]C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| 44214438 | 210384 | 0 | None | -3 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 630 | 6 | 0 | 7 | 5.2 | COc1cc(OC2CCN(C3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL66992 | 210384 | 0 | None | -3 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 630 | 6 | 0 | 7 | 5.2 | COc1cc(OC2CCN(C3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10840517 | 210683 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 4.9 | COc1cc(OC2CCN(Cc3ccncc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL68978 | 210683 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 4.9 | COc1cc(OC2CCN(Cc3ccncc3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL52176 | 222377 | 0 | None | 229 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| 44335300 | 11411 | 0 | None | 5 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 486 | 6 | 0 | 5 | 5.6 | COc1cc(OC(C)c2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL102994 | 11411 | 0 | None | 5 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 486 | 6 | 0 | 5 | 5.6 | COc1cc(OC(C)c2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| 56950450 | 81818 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 475 | 7 | 2 | 3 | 3.7 | Cc1ccccc1[C@H](C(=O)NC(C)C)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C | 10.1021/jm201287w | ||
| CHEMBL2035010 | 81818 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 475 | 7 | 2 | 3 | 3.7 | Cc1ccccc1[C@H](C(=O)NC(C)C)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C | 10.1021/jm201287w | ||
| 44581242 | 182666 | 0 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 475 | 8 | 0 | 6 | 4.9 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL458635 | 182666 | 0 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 475 | 8 | 0 | 6 | 4.9 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44279521 | 106833 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 626 | 6 | 1 | 7 | 4.8 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(F)cc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL287101 | 106833 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 626 | 6 | 1 | 7 | 4.8 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(F)cc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 44279709 | 110589 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 626 | 6 | 1 | 7 | 4.8 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5cccc(F)c54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL30910 | 110589 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 626 | 6 | 1 | 7 | 4.8 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5cccc(F)c54)CC3)ccc2o1 | 10.1016/s0960-894x(02)00160-9 | ||
| 44459838 | 106398 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 635 | 12 | 3 | 6 | 3.6 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL284120 | 106398 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 635 | 12 | 3 | 6 | 3.6 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 2204 | 10889 | 5 | None | -229 | 4 | Human | 7.2 | pKi | = | 7.2 | 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 | -229 | 4 | Human | 7.2 | pKi | = | 7.2 | 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 | -229 | 4 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
| 19691006 | 11942 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 493 | 6 | 1 | 6 | 4.2 | COc1cc(OC(C)C2CCNCC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL105960 | 11942 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 493 | 6 | 1 | 6 | 4.2 | COc1cc(OC(C)C2CCNCC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| 44334990 | 114970 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 6 | 0 | 5 | 5.0 | COc1cc(OCc2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL319646 | 114970 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 6 | 0 | 5 | 5.0 | COc1cc(OCc2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| 137212770 | 144832 | 0 | None | -28 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 532 | 10 | 1 | 8 | 4.4 | COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3765356 | 144832 | 0 | None | -28 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 532 | 10 | 1 | 8 | 4.4 | COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| 15951937 | 125421 | 0 | None | -1905 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 366 | 1 | 1 | 2 | 4.5 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| CHEMBL3416861 | 125421 | 0 | None | -1905 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 366 | 1 | 1 | 2 | 4.5 | O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 | 10.1021/jm501745f | ||
| 2213 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 3008 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 5311010 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 68613 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| CHEMBL378642 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| CHEMBL382301 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| DB09059 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm050645f | ||||
| 11620428 | 148051 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 509 | 9 | 1 | 6 | 2.9 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3C2C(N)=O)c2ccc(OC)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL383149 | 148051 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 509 | 9 | 1 | 6 | 2.9 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3C2C(N)=O)c2ccc(OC)cc2)cc1 | 10.1021/jm050645f | ||
| 70685423 | 80433 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 541 | 6 | 1 | 6 | 2.7 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(O)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017980 | 80433 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 541 | 6 | 1 | 6 | 2.7 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(O)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 44279168 | 106715 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 516 | 4 | 0 | 6 | 3.9 | CC(=O)N1CCN(Cc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL28627 | 106715 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 516 | 4 | 0 | 6 | 3.9 | CC(=O)N1CCN(Cc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279482 | 115100 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 537 | 4 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(c2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31978 | 115100 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 537 | 4 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(c2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279574 | 106184 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 625 | 6 | 1 | 8 | 4.6 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1nc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2s1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL282767 | 106184 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 625 | 6 | 1 | 8 | 4.6 | O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1nc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2s1 | 10.1016/s0960-894x(02)00160-9 | ||
| 11627894 | 77050 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 529 | 7 | 2 | 3 | 4.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)cc1 | 10.1021/jm050557v | ||
| CHEMBL194233 | 77050 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 529 | 7 | 2 | 3 | 4.4 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)cc1 | 10.1021/jm050557v | ||
| 11385982 | 79077 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 475 | 6 | 2 | 3 | 3.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)(C)C)c1ccccc1 | 10.1021/jm050557v | ||
| CHEMBL198328 | 79077 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 475 | 6 | 2 | 3 | 3.8 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)(C)C)c1ccccc1 | 10.1021/jm050557v | ||
| 44274944 | 175460 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 585 | 12 | 3 | 6 | 2.4 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL436540 | 175460 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 585 | 12 | 3 | 6 | 2.4 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 44279556 | 106827 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 2 | 1 | 3 | 4.2 | Cc1c[nH]c2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc12 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL287067 | 106827 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 2 | 1 | 3 | 4.2 | Cc1c[nH]c2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc12 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279260 | 113953 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 3.3 | O=C(c1ccc2[nH]ccc2n1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL31645 | 113953 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 3.3 | O=C(c1ccc2[nH]ccc2n1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44278973 | 115386 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 393 | 2 | 0 | 5 | 4.1 | O=C(c1ccc2ncsc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| CHEMBL32054 | 115386 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 393 | 2 | 0 | 5 | 4.1 | O=C(c1ccc2ncsc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00159-2 | ||
| 44279714 | 109660 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 634 | 5 | 0 | 7 | 6.2 | O=C(c1ccc2oc(CN3CCC(n4cc(C(F)(F)F)ccc4=O)CC3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL30587 | 109660 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 634 | 5 | 0 | 7 | 6.2 | O=C(c1ccc2oc(CN3CCC(n4cc(C(F)(F)F)ccc4=O)CC3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00160-9 | ||
| 44279794 | 113821 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 627 | 5 | 0 | 6 | 7.1 | O=C(c1ccc2oc(-c3cccc(Cn4cc(C(F)(F)F)ccc4=O)c3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00160-9 | ||
| CHEMBL31556 | 113821 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 627 | 5 | 0 | 6 | 7.1 | O=C(c1ccc2oc(-c3cccc(Cn4cc(C(F)(F)F)ccc4=O)c3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(02)00160-9 | ||
| 44274928 | 105537 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 573 | 12 | 3 | 6 | 3.0 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL278093 | 105537 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 573 | 12 | 3 | 6 | 3.0 | CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 44275001 | 105592 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 639 | 13 | 3 | 8 | 2.4 | CC(=O)CCCC(=O)NC1N=C(Cn2ccnc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL278619 | 105592 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 639 | 13 | 3 | 8 | 2.4 | CC(=O)CCCC(=O)NC1N=C(Cn2ccnc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 44275012 | 105641 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 508 | 7 | 2 | 7 | 2.7 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCc2nc(-c3ccccc3)no2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL278988 | 105641 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 508 | 7 | 2 | 7 | 2.7 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCc2nc(-c3ccccc3)no2)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 44274620 | 171653 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 565 | 8 | 3 | 5 | 2.9 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| CHEMBL422044 | 171653 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 565 | 8 | 3 | 5 | 2.9 | CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O | 10.1016/s0960-894x(01)00202-5 | ||
| 10817776 | 210606 | 0 | None | -5 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 628 | 8 | 0 | 7 | 5.3 | CCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)c(C)cc(C)[n+]1[O-] | 10.1021/jm9800797 | ||
| CHEMBL68480 | 210606 | 0 | None | -5 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 628 | 8 | 0 | 7 | 5.3 | CCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)c(C)cc(C)[n+]1[O-] | 10.1021/jm9800797 | ||
| 135476004 | 85836 | 0 | None | -8 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 2.7 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113185 | 85836 | 0 | None | -8 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 2.7 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL1790547 | 215676 | 0 | None | 57 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C=CC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||||
| CHEMBL300642 | 217687 | 0 | None | 32 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| 10675476 | 210660 | 0 | None | -5 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 630 | 6 | 0 | 7 | 5.2 | COc1cc(OC2CCN([C@H]3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL68800 | 210660 | 0 | None | -5 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 630 | 6 | 0 | 7 | 5.2 | COc1cc(OC2CCN([C@H]3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 10603831 | 210712 | 0 | None | -3 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 614 | 9 | 0 | 7 | 5.1 | CCCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)ccc[n+]1[O-] | 10.1021/jm9800797 | ||
| CHEMBL69202 | 210712 | 0 | None | -3 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 614 | 9 | 0 | 7 | 5.1 | CCCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)ccc[n+]1[O-] | 10.1021/jm9800797 | ||
| 135438362 | 85850 | 1 | None | 70 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 468 | 6 | 2 | 5 | 3.0 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL2113207 | 85850 | 1 | None | 70 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 468 | 6 | 2 | 5 | 3.0 | O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 1134627 | 79744 | 10 | None | -11 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 7 | 1 | 4 | 4.5 | COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL200682 | 79744 | 10 | None | -11 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 7 | 1 | 4 | 4.5 | COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| 145976546 | 170419 | 0 | None | -7 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 381 | 2 | 1 | 4 | 4.3 | Cc1ccn(-c2ccc(C(=O)N3CCCC(O)c4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204008 | 170419 | 0 | None | -7 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 381 | 2 | 1 | 4 | 4.3 | Cc1ccn(-c2ccc(C(=O)N3CCCC(O)c4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 137212772 | 144718 | 0 | None | -12 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL3763951 | 144718 | 0 | None | -12 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2017.10.059 | ||
| 137212772 | 144718 | 0 | None | -12 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763951 | 144718 | 0 | None | -12 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 609 | 7 | 2 | 8 | 4.7 | COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 | 10.1016/j.ejmech.2015.11.050 | ||
| 71455302 | 89151 | 0 | None | -234 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71482380 | 89151 | 0 | None | -234 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL2172290 | 89151 | 0 | None | -234 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 10837896 | 210758 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 3.6 | COc1cc(OC2CCNCC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| CHEMBL69498 | 210758 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 3.6 | COc1cc(OC2CCNCC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1021/jm9800797 | ||
| 44419025 | 91071 | 0 | None | -3311 | 8 | Rat | 6.1 | pKi | = | 6.1 | 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 | -3311 | 8 | Rat | 6.1 | pKi | = | 6.1 | 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 | ||
| CHEMBL339118 | 218396 | 0 | None | 19 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| 137212776 | 144711 | 0 | None | -128 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 532 | 10 | 3 | 8 | 4.6 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| CHEMBL3763823 | 144711 | 0 | None | -128 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 532 | 10 | 3 | 8 | 4.6 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2017.10.059 | ||
| 137212776 | 144711 | 0 | None | -128 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 532 | 10 | 3 | 8 | 4.6 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2015.11.050 | ||
| CHEMBL3763823 | 144711 | 0 | None | -128 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 532 | 10 | 3 | 8 | 4.6 | Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 | 10.1016/j.ejmech.2015.11.050 | ||
| 145978570 | 170598 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.2 | Cc1ccn(-c2ccc(C(=O)N3CCCCc4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4206233 | 170598 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.2 | Cc1ccn(-c2ccc(C(=O)N3CCCCc4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 46233065 | 207838 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 4 | 2 | 5 | 4.1 | Cc1cc(C(=O)N2CCCNc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| CHEMBL602671 | 207838 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 4 | 2 | 5 | 4.1 | Cc1cc(C(=O)N2CCCNc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| 73346892 | 96128 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 975 | 17 | 12 | 14 | -3.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| CHEMBL2369424 | 96128 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 975 | 17 | 12 | 14 | -3.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm100989w | ||
| 44275618 | 104515 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 4 | 0 | 5 | 3.5 | COc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL27157 | 104515 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 4 | 0 | 5 | 3.5 | COc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(98)00568-x | ||
| 44275618 | 104515 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 4 | 0 | 5 | 3.5 | COc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL27157 | 104515 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 4 | 0 | 5 | 3.5 | COc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL1790543 | 215674 | 0 | None | 61 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCCNN2C1=O | 10.1021/jm00171a003 | ||||
| 54580518 | 69164 | 0 | None | -69 | 3 | Human | 7.1 | pKi | = | 7.1 | 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 | 7.1 | pKi | = | 7.1 | 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 | ||
| 25212177 | 181608 | 10 | None | 7 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1 | 10.1021/jm901812z | ||
| CHEMBL456263 | 181608 | 10 | None | 7 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1 | 10.1021/jm901812z | ||
| 2252 | 9011 | 48 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(98)00568-x | ||
| 6918320 | 9011 | 48 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL24781 | 9011 | 48 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(98)00568-x | ||
| 2252 | 9011 | 48 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(99)00181-x | ||
| 6918320 | 9011 | 48 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24781 | 9011 | 48 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL1790937 | 215685 | 0 | None | -2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 11683187 | 206711 | 44 | None | 117 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/jm901812z | ||
| CHEMBL594828 | 206711 | 44 | None | 117 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/jm901812z | ||
| 11683187 | 206711 | 44 | None | 117 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/jm901812z | ||
| CHEMBL594828 | 206711 | 44 | None | 117 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/jm901812z | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| CHEMBL1790542 | 215673 | 0 | None | 346 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||||
| 44275233 | 105672 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 521 | 6 | 0 | 6 | 3.8 | COc1cc(OC2CCN(C(C)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL279230 | 105672 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 521 | 6 | 0 | 6 | 3.8 | COc1cc(OC2CCN(C(C)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 11756466 | 11860 | 0 | None | -1 | 2 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 521 | 6 | 0 | 6 | 4.4 | COc1cc(O[C@H](C)c2cc[n+]([O-])cc2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| CHEMBL105514 | 11860 | 0 | None | -1 | 2 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 521 | 6 | 0 | 6 | 4.4 | COc1cc(O[C@H](C)c2cc[n+]([O-])cc2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 | 10.1016/s0960-894x(98)00568-x | ||
| 1103932 | 23775 | 12 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 434 | 6 | 2 | 5 | 2.4 | O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| CHEMBL1254116 | 23775 | 12 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 434 | 6 | 2 | 5 | 2.4 | O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm050645f | ||
| 1103932 | 23775 | 12 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 434 | 6 | 2 | 5 | 2.4 | O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm901812z | ||
| CHEMBL1254116 | 23775 | 12 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 434 | 6 | 2 | 5 | 2.4 | O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 | 10.1021/jm901812z | ||
| CHEMBL2369831 | 216477 | 1 | None | -91 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | ||||
| 1368921 | 79678 | 8 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 428 | 6 | 1 | 3 | 4.8 | Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL200415 | 79678 | 8 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 428 | 6 | 1 | 3 | 4.8 | Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 | 10.1021/jm050645f | ||
| 52947354 | 23767 | 12 | None | 2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 338 | 4 | 1 | 4 | 2.9 | CO/N=C1/C[C@@H](CO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 | 10.1021/jm901812z | ||
| CHEMBL1254025 | 23767 | 12 | None | 2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 338 | 4 | 1 | 4 | 2.9 | CO/N=C1/C[C@@H](CO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 | 10.1021/jm901812z | ||
| 54580303 | 69869 | 0 | None | -6 | 3 | Human | 6.0 | pKi | = | 6.0 | 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 | 6.0 | pKi | = | 6.0 | 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 | 6.0 | pKi | = | 6.0 | 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 | ||
| 135506374 | 144678 | 23 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 144678 | 23 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3814232 | 219065 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2016.05.062 | ||||
| 11366713 | 144000 | 0 | None | -2238 | 8 | Rat | 6.0 | pKi | = | 6 | 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 | -2238 | 8 | Rat | 6.0 | pKi | = | 6 | 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 | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 6278592 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7921228 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 6278592 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7921228 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 6278592 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7921228 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 6278592 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7921228 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 6278592 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7921228 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 6278592 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7921228 | ||||
| 2042 | 9757 | 58 | 3H-Oxytocin | 1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 9757 | 58 | 3H-Oxytocin | 1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 9757 | 58 | 3H-Oxytocin | 1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 9757 | 58 | 3H-Oxytocin | 1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 9757 | 58 | 3H-Oxytocin | 1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 9757 | 58 | 3H-Oxytocin | 1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 222965 | 0 | 3H-Oxytocin | 6 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 768 | 14 | 3 | 10 | 2.3 | CCC(C)C(C(=O)C1(CCCN1C(=O)C(CC2=NC(N=C2)(C(=O)N3CCCCC3)C(=O)N4CCCCC4)N)C=O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N | None | ||
| 2042 | 9757 | 58 | 3H-Oxytocin | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 9757 | 58 | 3H-Oxytocin | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 9757 | 58 | 3H-Oxytocin | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 9757 | 58 | 3H-Oxytocin | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 9757 | 58 | 3H-Oxytocin | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 9757 | 58 | 3H-Oxytocin | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 222965 | 0 | 3H-Oxytocin | 6 | 4 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 768 | 14 | 3 | 10 | 2.3 | CCC(C)C(C(=O)C1(CCCN1C(=O)C(CC2=NC(N=C2)(C(=O)N3CCCCC3)C(=O)N4CCCCC4)N)C=O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N | None | ||
| 2042 | 9757 | 58 | 3H-Oxytocin | -1 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 9757 | 58 | 3H-Oxytocin | -1 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 9757 | 58 | 3H-Oxytocin | -1 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 9757 | 58 | 3H-Oxytocin | -1 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 9757 | 58 | 3H-Oxytocin | -1 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 9757 | 58 | 3H-Oxytocin | -1 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2042 | 9757 | 58 | 3H-Oxytocin | -1 | 8 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 9757 | 58 | 3H-Oxytocin | -1 | 8 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 9757 | 58 | 3H-Oxytocin | -1 | 8 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 9757 | 58 | 3H-Oxytocin | -1 | 8 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 9757 | 58 | 3H-Oxytocin | -1 | 8 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 9757 | 58 | 3H-Oxytocin | -1 | 8 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 222963 | 0 | 3H-Oxytocin | 1 | 4 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 755 | 14 | 5 | 8 | 1.7 | CC(C=C)C(C(=O)N1CCCCC1(C=O)C(=O)N2CCCCC2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C(CC6=CN=CN6)N | None | ||
| None | 222772 | 0 | 3H-Oxytocin | -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 | ||
| None | 223090 | 0 | 3H-Oxytocin | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | ||
| None | 223091 | 0 | 3H-Oxytocin | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
| None | 223092 | 0 | 3H-Oxytocin | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
| None | 223093 | 0 | 3H-Oxytocin | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
| None | 223095 | 0 | 3H-Oxytocin | -1 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | ||
| None | 223096 | 0 | 3H-Oxytocin | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | ||
| None | 223097 | 0 | 3H-Oxytocin | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 4 | 3 | 4 | -1.3 | C(CS(=O)(=O)O)C(C(=O)O)N | None | ||
| None | 223272 | 0 | 3H-Oxytocin | -10471285 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 372 | 2 | 1 | 3 | 4.4 | CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl | None | ||
| 119369 | 9384 | 74 | 3H-Oxytocin | -147 | 8 | Rat | 5.8 | pKi | = | 5.8 | 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-Oxytocin | -147 | 8 | Rat | 5.8 | pKi | = | 5.8 | 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-Oxytocin | -147 | 8 | Rat | 5.8 | pKi | = | 5.8 | 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-Oxytocin | -147 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| None | 222963 | 0 | 3H-Oxytocin | -2 | 4 | Rhesus macaque | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 755 | 14 | 5 | 8 | 1.7 | CC(C=C)C(C(=O)N1CCCCC1(C=O)C(=O)N2CCCCC2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C(CC6=CN=CN6)N | None | ||
| 133612094 | 223265 | 0 | 3H-Oxytocin | -4 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
| None | 222964 | 0 | 3H-Oxytocin | 1 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 780 | 14 | 4 | 9 | 2.2 | CCC(C)C(C(=O)N(C(CC1=CNC2=CC=CC=C21)C=O)C(=O)C3CCCN3C(=O)C(CC4=CC=CCC4(C(=O)N5CCNCC5)C(=O)N6CC=CC=C6)NC)N | None | ||
| 146681949 | 222856 | 0 | 3H-Oxytocin | -3 | 9 | Rat | 8.5 | pKi | = | 8.5 | 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 | ||
| 114904 | 9728 | 56 | 3H-Oxytocin | -12 | 7 | Rat | 6.5 | pKi | = | 6.5 | 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-Oxytocin | -12 | 7 | Rat | 6.5 | pKi | = | 6.5 | 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-Oxytocin | -12 | 7 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| None | 222964 | 0 | 3H-Oxytocin | 1 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 780 | 14 | 4 | 9 | 2.2 | CCC(C)C(C(=O)N(C(CC1=CNC2=CC=CC=C21)C=O)C(=O)C3CCCN3C(=O)C(CC4=CC=CCC4(C(=O)N5CCNCC5)C(=O)N6CC=CC=C6)NC)N | None | ||
| None | 222964 | 0 | 3H-Oxytocin | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 780 | 14 | 4 | 9 | 2.2 | CCC(C)C(C(=O)N(C(CC1=CNC2=CC=CC=C21)C=O)C(=O)C3CCCN3C(=O)C(CC4=CC=CCC4(C(=O)N5CCNCC5)C(=O)N6CC=CC=C6)NC)N | None | ||
| None | 222964 | 0 | 3H-Oxytocin | -1 | 4 | Rhesus macaque | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 780 | 14 | 4 | 9 | 2.2 | CCC(C)C(C(=O)N(C(CC1=CNC2=CC=CC=C21)C=O)C(=O)C3CCCN3C(=O)C(CC4=CC=CCC4(C(=O)N5CCNCC5)C(=O)N6CC=CC=C6)NC)N | None | ||
| 151171 | 7947 | 50 | 3H-Oxytocin | -28 | 6 | Rat | 7.4 | pKi | = | 7.4 | 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-Oxytocin | -28 | 6 | Rat | 7.4 | pKi | = | 7.4 | 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-Oxytocin | -28 | 6 | Rat | 7.4 | pKi | = | 7.4 | 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-Oxytocin | -28 | 6 | Rat | 7.4 | pKi | = | 7.4 | 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-Oxytocin | -28 | 6 | Rat | 7.4 | pKi | = | 7.4 | 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-Oxytocin | -28 | 6 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| None | 222965 | 0 | 3H-Oxytocin | -6 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 768 | 14 | 3 | 10 | 2.3 | CCC(C)C(C(=O)C1(CCCN1C(=O)C(CC2=NC(N=C2)(C(=O)N3CCCCC3)C(=O)N4CCCCC4)N)C=O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N | None | ||
| None | 222963 | 0 | 3H-Oxytocin | 1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 755 | 14 | 5 | 8 | 1.7 | CC(C=C)C(C(=O)N1CCCCC1(C=O)C(=O)N2CCCCC2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C(CC6=CN=CN6)N | None | ||
| 119369 | 9384 | 74 | None | -6 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 9384 | 74 | None | -6 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 9384 | 74 | None | -6 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 9384 | 74 | None | -6 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| None | 222965 | 0 | 3H-Oxytocin | -8 | 4 | Rhesus macaque | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 768 | 14 | 3 | 10 | 2.3 | CCC(C)C(C(=O)C1(CCCN1C(=O)C(CC2=NC(N=C2)(C(=O)N3CCCCC3)C(=O)N4CCCCC4)N)C=O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N | None | ||
| 151171 | 7947 | 50 | None | -28 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 216322 | 7947 | 50 | None | -28 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 2203 | 7947 | 50 | None | -28 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 732 | 7947 | 50 | None | -28 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| CHEMBL1755 | 7947 | 50 | None | -28 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| DB00872 | 7947 | 50 | None | -28 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 133612094 | 223265 | 0 | None | -4 | 5 | Rat | 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 | ||
| 122172899 | 224484 | 0 | None | 1 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 1068 | 19 | 14 | 15 | -4.1 | NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O | None | ||
| 133612094 | 223265 | 0 | None | -4 | 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 | ||
| 133612094 | 223265 | 0 | 3H-Oxytocin | -4 | 5 | Rat | 7.1 | pKi | = | 7.1 | 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 | ||
| 11169 | 7584 | 37 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 131676677 | 7584 | 37 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 165708555 | 7584 | 37 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 16681432 | 7584 | 37 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 495 | 7584 | 37 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| CHEMBL3301668 | 7584 | 37 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| DB01282 | 7584 | 37 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 146681949 | 222856 | 0 | None | -5 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
| 146681949 | 222856 | 0 | None | -3 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 133612094 | 223265 | 0 | 3H-Oxytocin | -4 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
| 122172899 | 224484 | 0 | None | -1 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 1068 | 19 | 14 | 15 | -4.1 | NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O | None | ||
| 57346808 | 220448 | 2 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | 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 | None | ||||
| CHEMBL435716 | 220448 | 2 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | 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 | None | ||||
| 2042 | 9757 | 58 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 2174 | 9757 | 58 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 2176 | 9757 | 58 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 439302 | 9757 | 58 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL395429 | 9757 | 58 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| DB00107 | 9757 | 58 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| None | 222963 | 0 | 3H-Oxytocin | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 755 | 14 | 5 | 8 | 1.7 | CC(C=C)C(C(=O)N1CCCCC1(C=O)C(=O)N2CCCCC2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C(CC6=CN=CN6)N | None | ||
| 10444 | 9106 | 14 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 30199637 | ||
| 139030525 | 9106 | 14 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 30199637 | ||
| 145711714 | 9106 | 14 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 30199637 | ||
| CHEMBL4204210 | 9106 | 14 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 30199637 | ||
| 8529 | 10127 | 0 | None | -10000 | 3 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 439 | 4 | 0 | 4 | 3.9 | CN(CCN1CC(c2c1cc(Cl)cc2)C(=O)N1CCC2(CC1)OCc1c2cccc1)C | 25654260 | ||
| 91827367 | 10127 | 0 | None | -10000 | 3 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 439 | 4 | 0 | 4 | 3.9 | CN(CCN1CC(c2c1cc(Cl)cc2)C(=O)N1CCC2(CC1)OCc1c2cccc1)C | 25654260 | ||
| 10615 | 7360 | 32 | None | -2630267 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| 46200932 | 7360 | 32 | None | -2630267 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| CHEMBL4297183 | 7360 | 32 | None | -2630267 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| DB14823 | 7360 | 32 | None | -2630267 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| 2179 | 10587 | 0 | None | 44 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 23723434 | ||||
| 2179 | 10587 | 0 | None | 44 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 2827511 | ||||
| 2179 | 10587 | 0 | None | 44 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2179 | 10587 | 0 | None | 44 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 3080871 | 10587 | 0 | None | 44 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 23723434 | ||||
| 3080871 | 10587 | 0 | None | 44 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 2827511 | ||||
| 3080871 | 10587 | 0 | None | 44 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 3080871 | 10587 | 0 | None | 44 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 2253 | 9012 | 20 | None | -5 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 9622556 | ||
| 5311202 | 9012 | 20 | None | -5 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 9622556 | ||
| CHEMBL306645 | 9012 | 20 | None | -5 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 9622556 | ||
| 3870 | 8167 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | None | ||||
| 2252 | 9011 | 48 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 16158071 | ||
| 6918320 | 9011 | 48 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 16158071 | ||
| CHEMBL24781 | 9011 | 48 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 16158071 | ||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2042 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2174 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2176 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 439302 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL395429 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| DB00107 | 9757 | 58 | None | 1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 10461270 | 10450 | 7 | None | 3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 14722330 | ||
| 2201 | 10450 | 7 | None | 3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 14722330 | ||
| CHEMBL1615640 | 10450 | 7 | None | 3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 603 | 9 | 0 | 5 | 6.9 | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 | 14722330 | ||
| 11340891 | 10094 | 30 | None | 891 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 17395790 | ||
| 11340891 | 10094 | 30 | None | 891 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 18032036 | ||
| 8403 | 10094 | 30 | None | 891 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 17395790 | ||
| 8403 | 10094 | 30 | None | 891 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 18032036 | ||
| CHEMBL429736 | 10094 | 30 | None | 891 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 17395790 | ||
| CHEMBL429736 | 10094 | 30 | None | 891 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 18032036 | ||
| DB11818 | 10094 | 30 | None | 891 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 17395790 | ||
| DB11818 | 10094 | 30 | None | 891 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 18032036 | ||
| 2169 | 7254 | 0 | None | 7 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2169 | 7254 | 0 | None | 7 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 68649 | 7254 | 0 | None | 7 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 68649 | 7254 | 0 | None | 7 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 2188 | 8125 | 0 | None | -316 | 4 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2186 | 8124 | 0 | None | -501 | 4 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2242 | 9001 | 0 | None | - | 1 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 459 | 5 | 2 | 4 | 3.4 | OC(=O)CC1(O)CC2C(C1(CC2)CS(=O)(=O)N1CCC2(CC1)C=Cc1c2cccc1)(C)C | 7475979 | ||
| 3083288 | 9001 | 0 | None | - | 1 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 459 | 5 | 2 | 4 | 3.4 | OC(=O)CC1(O)CC2C(C1(CC2)CS(=O)(=O)N1CCC2(CC1)C=Cc1c2cccc1)(C)C | 7475979 | ||
| 2190 | 8225 | 0 | None | -398 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2200 | 10084 | 46 | None | -177 | 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 | 10519430 | ||
| 2200 | 10084 | 46 | None | -177 | 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 | -177 | 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 | 10519430 | ||
| 3482 | 10084 | 46 | None | -177 | 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 | -177 | 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 | 10519430 | ||
| 60943 | 10084 | 46 | None | -177 | 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 | -177 | 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 | 10519430 | ||
| CHEMBL419667 | 10084 | 46 | None | -177 | 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 | -177 | 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 | 10519430 | ||
| DB13929 | 10084 | 46 | None | -177 | 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 | ||
| 2213 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2213 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2213 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 2213 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| 2213 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 3008 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 3008 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 3008 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 3008 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| 3008 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 5311010 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 5311010 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 5311010 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 5311010 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| 5311010 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 68613 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 68613 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 68613 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 68613 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| 68613 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| CHEMBL378642 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| CHEMBL378642 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL378642 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| CHEMBL378642 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| CHEMBL378642 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| CHEMBL382301 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| CHEMBL382301 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL382301 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| CHEMBL382301 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| CHEMBL382301 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| DB09059 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| DB09059 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| DB09059 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| DB09059 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| DB09059 | 7306 | 46 | None | -46 | 5 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 114904 | 9728 | 56 | None | -7 | 7 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 7475979 | ||
| 2196 | 9728 | 56 | None | -7 | 7 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 7475979 | ||
| CHEMBL296908 | 9728 | 56 | None | -7 | 7 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 7475979 | ||
| 2189 | 8226 | 0 | None | -316 | 4 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2192 | 9137 | 28 | None | -2 | 3 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 12660315 | ||
| 9690136 | 9137 | 28 | None | -2 | 3 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 12660315 | ||
| CHEMBL1254024 | 9137 | 28 | None | -2 | 3 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 12660315 | ||
| 2213 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 3008 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 5311010 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 68613 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL378642 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL382301 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| DB09059 | 7306 | 46 | None | -28 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2181 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2181 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2182 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2182 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 27991 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 27991 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 5311065 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 5311065 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL1429 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| CHEMBL1429 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL264448 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| CHEMBL264448 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| DB00035 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| DB00035 | 8113 | 42 | None | -23 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2191 | 8227 | 0 | None | -398 | 4 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2187 | 8123 | 0 | None | -89 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2187 | 8123 | 0 | None | -89 | 4 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 10413997 | 9005 | 5 | None | -1 | 2 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 7475979 | ||
| 2246 | 9005 | 5 | None | -1 | 2 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 7475979 | ||
| CHEMBL338522 | 9005 | 5 | None | -1 | 2 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 7475979 | ||
| 2192 | 9137 | 28 | None | 2 | 3 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 12660315 | ||
| 9690136 | 9137 | 28 | None | 2 | 3 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 12660315 | ||
| CHEMBL1254024 | 9137 | 28 | None | 2 | 3 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 471 | 7 | 2 | 5 | 3.7 | CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C | 12660315 | ||
| 2202 | 9537 | 33 | None | -10 | 5 | Human | 7.8 | pKi | None | 7.8 | 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 | -10 | 5 | Human | 7.8 | pKi | None | 7.8 | 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 | -10 | 5 | Human | 7.8 | pKi | None | 7.8 | 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 | -10 | 5 | Human | 7.8 | pKi | None | 7.8 | 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 | -10 | 5 | Human | 7.8 | pKi | None | 7.8 | 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 | -10 | 5 | Human | 7.8 | pKi | None | 7.8 | 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 | -10 | 5 | Human | 7.8 | pKi | None | 7.8 | 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 | -10 | 5 | Human | 7.8 | pKi | None | 7.8 | 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 | ||
| 2247 | 9006 | 0 | None | - | 1 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2249 | 9008 | 18 | None | -2 | 6 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 7475979 | ||
| 9872389 | 9008 | 18 | None | -2 | 6 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 7475979 | ||
| CHEMBL1253853 | 9008 | 18 | None | -2 | 6 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 7475979 | ||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 11337500 | ||||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2168 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 11337500 | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2810 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 11337500 | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 644077 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 11337500 | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL373742 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 11337500 | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| DB00067 | 10748 | 38 | None | -18 | 9 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 2181 | 8113 | 42 | None | -23 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2182 | 8113 | 42 | None | -23 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 27991 | 8113 | 42 | None | -23 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 5311065 | 8113 | 42 | None | -23 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL1429 | 8113 | 42 | None | -23 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL264448 | 8113 | 42 | None | -23 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00035 | 8113 | 42 | None | -23 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2223 | 8134 | 0 | None | -3 | 4 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 6917952 | 8134 | 0 | None | -3 | 4 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 196819 | 9002 | 0 | None | - | 1 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2243 | 9002 | 0 | None | - | 1 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2248 | 9007 | 0 | None | - | 1 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2241 | 8999 | 1 | None | 2 | 4 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 9810632 | 8999 | 1 | None | 2 | 4 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| CHEMBL127686 | 8999 | 1 | None | 2 | 4 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2250 | 9009 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2251 | 9010 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 188397 | 9004 | 0 | None | - | 1 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2245 | 9004 | 0 | None | - | 1 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2042 | 9757 | 58 | None | -1 | 8 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2174 | 9757 | 58 | None | -1 | 8 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2176 | 9757 | 58 | None | -1 | 8 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 439302 | 9757 | 58 | None | -1 | 8 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL395429 | 9757 | 58 | None | -1 | 8 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| DB00107 | 9757 | 58 | None | -1 | 8 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 164712 | 9880 | 0 | None | 50 | 3 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 164712 | 9880 | 0 | None | 50 | 3 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 2178 | 9880 | 0 | None | 50 | 3 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2178 | 9880 | 0 | None | 50 | 3 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| CHEMBL3272682 | 9880 | 0 | None | 50 | 3 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL3272682 | 9880 | 0 | None | 50 | 3 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 8955347 | ||||
| 2239 | 7863 | 1 | None | 501 | 3 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 16250654 | ||
| 6918854 | 7863 | 1 | None | 501 | 3 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 16250654 | ||
| CHEMBL196478 | 7863 | 1 | None | 501 | 3 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 16250654 | ||
| 2219 | 8136 | 0 | None | 1 | 4 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11337500 | ||||
| 135413562 | 8986 | 15 | None | 1 | 5 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 16302826 | ||
| 135413562 | 8986 | 15 | None | -1 | 5 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 16302826 | ||
| 2194 | 8986 | 15 | None | 1 | 5 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 16302826 | ||
| 2194 | 8986 | 15 | None | -1 | 5 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 16302826 | ||
| CHEMBL445816 | 8986 | 15 | None | 1 | 5 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 16302826 | ||
| CHEMBL445816 | 8986 | 15 | None | -1 | 5 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 16302826 | ||
| 2244 | 9003 | 0 | None | - | 1 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 7475979 | ||||
| 2221 | 8137 | 0 | None | 17 | 4 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 15880385 | ||||
| 2221 | 8137 | 0 | None | 17 | 4 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 16158071 | ||||