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 |
| 24861391 | 188155 | 0 | None | -2 | 2 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 578 | 5 | 1 | 7 | 5.3 | O=C(O)c1cc(N2CCN(C(=O)c3cn(-c4ccc5c(c4)OCCO5)c(-c4ccc(F)cc4)n3)CC2)cc2ccccc12 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL505225 | 188155 | 0 | None | -2 | 2 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 578 | 5 | 1 | 7 | 5.3 | O=C(O)c1cc(N2CCN(C(=O)c3cn(-c4ccc5c(c4)OCCO5)c(-c4ccc(F)cc4)n3)CC2)cc2ccccc12 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL505969 | 188155 | 0 | None | -2 | 2 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 578 | 5 | 1 | 7 | 5.3 | O=C(O)c1cc(N2CCN(C(=O)c3cn(-c4ccc5c(c4)OCCO5)c(-c4ccc(F)cc4)n3)CC2)cc2ccccc12 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL2369765 | 207927 | 12 | None | - | 1 | Rat | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||||
| CHEMBL1806528 | 207221 | 0 | None | 13 | 2 | Rat | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||||
| 155533399 | 171269 | 0 | None | 2 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1838 | 72 | 19 | 24 | 1.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4468861 | 171269 | 0 | None | 2 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1838 | 72 | 19 | 24 | 1.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 24861060 | 188131 | 0 | None | -5 | 3 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 578 | 7 | 1 | 6 | 6.2 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL446789 | 188131 | 0 | None | -5 | 3 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 578 | 7 | 1 | 6 | 6.2 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL504861 | 188131 | 0 | None | -5 | 3 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 578 | 7 | 1 | 6 | 6.2 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| 155564367 | 174574 | 0 | None | 457 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1836 | 72 | 18 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4570130 | 174574 | 0 | None | 457 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1836 | 72 | 18 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 155543846 | 172631 | 0 | None | 14 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1838 | 72 | 19 | 24 | 2.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4522865 | 172631 | 0 | None | 14 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1838 | 72 | 19 | 24 | 2.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 56663263 | 63672 | 0 | None | 7 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1538 | 51 | 14 | 25 | -2.8 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOCCOCCOC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||
| CHEMBL1807150 | 63672 | 0 | None | 7 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1538 | 51 | 14 | 25 | -2.8 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOCCOCCOC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||
| 155553502 | 173593 | 0 | None | 26 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1822 | 72 | 19 | 22 | 3.0 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4547294 | 173593 | 0 | None | 26 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1822 | 72 | 19 | 22 | 3.0 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 155540415 | 172360 | 0 | None | 1584 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1862 | 71 | 17 | 23 | 3.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4516868 | 172360 | 0 | None | 1584 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1862 | 71 | 17 | 23 | 3.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 155557285 | 173936 | 0 | None | 295 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1779 | 74 | 19 | 22 | 1.6 | CCCC[C@H](NC(=O)[C@H](CNC(=O)CCCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4555341 | 173936 | 0 | None | 295 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1779 | 74 | 19 | 22 | 1.6 | CCCC[C@H](NC(=O)[C@H](CNC(=O)CCCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 5311400 | 3229 | 1 | None | - | 1 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 900 | 3229 | 1 | None | - | 1 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| CHEMBL262197 | 3229 | 1 | None | - | 1 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 155559320 | 174282 | 0 | None | -1 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1872 | 72 | 18 | 23 | 3.8 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4563364 | 174282 | 0 | None | -1 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1872 | 72 | 18 | 23 | 3.8 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL1806532 | 207224 | 0 | None | 5 | 2 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||||
| 155526914 | 170626 | 0 | None | -2 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1837 | 72 | 19 | 24 | 0.8 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4459331 | 170626 | 0 | None | -2 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1837 | 72 | 19 | 24 | 0.8 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 155546692 | 173060 | 0 | None | 3 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1861 | 72 | 19 | 23 | 3.2 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4534236 | 173060 | 0 | None | 3 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1861 | 72 | 19 | 23 | 3.2 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 9853654 | 22573 | 37 | None | -1 | 4 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL1328 | 22573 | 37 | None | -1 | 4 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01233 | ||
| 155516677 | 169511 | 0 | None | -1 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1822 | 72 | 18 | 23 | 2.7 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4443415 | 169511 | 0 | None | -1 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1822 | 72 | 18 | 23 | 2.7 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 155558199 | 174187 | 0 | None | 15488 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1894 | 75 | 19 | 24 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4561184 | 174187 | 0 | None | 15488 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1894 | 75 | 19 | 24 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 155524181 | 170276 | 0 | None | -4 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1820 | 71 | 18 | 22 | 2.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4453982 | 170276 | 0 | None | -4 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1820 | 71 | 18 | 22 | 2.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 101823779 | 1364 | 29 | None | 354 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| 16162108 | 1364 | 29 | None | 354 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| 8408 | 1364 | 29 | None | 354 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| CHEMBL4451154 | 1364 | 29 | None | 354 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| 155555346 | 173790 | 0 | None | -3 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1836 | 71 | 17 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4551834 | 173790 | 0 | None | -3 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1836 | 71 | 17 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 4627 | 807 | 44 | None | -1 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| 864 | 807 | 44 | None | -1 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| 9833444 | 807 | 44 | None | -1 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| DB09142 | 807 | 44 | None | -1 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| 155544674 | 174354 | 0 | None | -1 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1822 | 71 | 18 | 23 | 2.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4565336 | 174354 | 0 | None | -1 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1822 | 71 | 18 | 23 | 2.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 10509035 | 14328 | 0 | None | - | 1 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 714 | 19 | 7 | 8 | 0.3 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS(=O)(=O)O | 10.1021/jm0000416 | ||
| CHEMBL120150 | 14328 | 0 | None | - | 1 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 714 | 19 | 7 | 8 | 0.3 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS(=O)(=O)O | 10.1021/jm0000416 | ||
| 4627 | 807 | 44 | None | -6 | 6 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 864 | 807 | 44 | None | -6 | 6 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 9833444 | 807 | 44 | None | -6 | 6 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| CHEMBL1121 | 807 | 44 | None | -6 | 6 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| DB09142 | 807 | 44 | None | -6 | 6 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 4627 | 807 | 44 | None | -6 | 6 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| 864 | 807 | 44 | None | -6 | 6 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| 9833444 | 807 | 44 | None | -6 | 6 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| CHEMBL1121 | 807 | 44 | None | -6 | 6 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| DB09142 | 807 | 44 | None | -6 | 6 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| 155532425 | 171172 | 0 | None | -3 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1822 | 71 | 18 | 23 | 2.5 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4467338 | 171172 | 0 | None | -3 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1822 | 71 | 18 | 23 | 2.5 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01558 | ||
| 16755781 | 188189 | 10 | None | -9 | 3 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 560 | 7 | 1 | 6 | 6.1 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL443189 | 188189 | 10 | None | -9 | 3 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 560 | 7 | 1 | 6 | 6.1 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL505409 | 188189 | 10 | None | -9 | 3 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 560 | 7 | 1 | 6 | 6.1 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL505727 | 188189 | 10 | None | -9 | 3 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 560 | 7 | 1 | 6 | 6.1 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| 155517868 | 169633 | 0 | None | 457 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1893 | 76 | 19 | 24 | 3.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4445353 | 169633 | 0 | None | 457 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1893 | 76 | 19 | 24 | 3.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL64605 | 214069 | 6 | None | 3 | 4 | Rat | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||||
| 162658676 | 180390 | 0 | None | 3 | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1489 | 37 | 14 | 19 | -0.7 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL4758706 | 180390 | 0 | None | 3 | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1489 | 37 | 14 | 19 | -0.7 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| 16755781 | 188189 | 10 | None | -9 | 3 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 560 | 7 | 1 | 6 | 6.1 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL443189 | 188189 | 10 | None | -9 | 3 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 560 | 7 | 1 | 6 | 6.1 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL505409 | 188189 | 10 | None | -9 | 3 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 560 | 7 | 1 | 6 | 6.1 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL505727 | 188189 | 10 | None | -9 | 3 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 560 | 7 | 1 | 6 | 6.1 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL120632 | 206853 | 30 | None | 1 | 3 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||||
| 10372489 | 4183 | 0 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 692 | 20 | 7 | 7 | 1.3 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)O | 10.1021/jm0000416 | ||
| CHEMBL100538 | 4183 | 0 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 692 | 20 | 7 | 7 | 1.3 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)O | 10.1021/jm0000416 | ||
| CHEMBL333477 | 209636 | 0 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm0000416 | ||||
| 24861113 | 187597 | 0 | None | -24 | 2 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 564 | 7 | 1 | 6 | 5.9 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL498942 | 187597 | 0 | None | -24 | 2 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 564 | 7 | 1 | 6 | 5.9 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL506201 | 187597 | 0 | None | -24 | 2 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 564 | 7 | 1 | 6 | 5.9 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL333477 | 209636 | 0 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm9603072 | ||||
| CHEMBL414345 | 211366 | 6 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0498755 | ||||
| 155535579 | 171474 | 0 | None | -158 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1836 | 71 | 17 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4471871 | 171474 | 0 | None | -158 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1836 | 71 | 17 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 10794634 | 112590 | 0 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 677 | 19 | 7 | 7 | 0.3 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(N)=O | 10.1021/jm0000416 | ||
| CHEMBL331394 | 112590 | 0 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 677 | 19 | 7 | 7 | 0.3 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(N)=O | 10.1021/jm0000416 | ||
| 162673242 | 182616 | 0 | None | 2 | 2 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1475 | 37 | 14 | 19 | -1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL4795913 | 182616 | 0 | None | 2 | 2 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1475 | 37 | 14 | 19 | -1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| 155560670 | 174510 | 0 | None | -72 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1886 | 72 | 17 | 23 | 4.2 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4568746 | 174510 | 0 | None | -72 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1886 | 72 | 17 | 23 | 4.2 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 162657745 | 180424 | 0 | None | 1 | 2 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1475 | 37 | 14 | 19 | -1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL4759105 | 180424 | 0 | None | 1 | 2 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1475 | 37 | 14 | 19 | -1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| 52949124 | 861 | 2 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 155539345 | 172254 | 0 | None | -3235 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1850 | 72 | 16 | 23 | 3.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4514283 | 172254 | 0 | None | -3235 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1850 | 72 | 16 | 23 | 3.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL382051 | 210536 | 0 | None | -109 | 5 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| CHEMBL382051 | 210536 | 0 | None | -109 | 5 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 44580899 | 188477 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1001 | 19 | 8 | 14 | 1.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL509792 | 188477 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1001 | 19 | 8 | 14 | 1.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL414592 | 211387 | 0 | None | -8 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)N(C)C(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00093a013 | ||||
| 162673242 | 182616 | 0 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1475 | 37 | 14 | 19 | -1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL4795913 | 182616 | 0 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1475 | 37 | 14 | 19 | -1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| 162658676 | 180390 | 0 | None | -3 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1489 | 37 | 14 | 19 | -0.7 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL4758706 | 180390 | 0 | None | -3 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1489 | 37 | 14 | 19 | -0.7 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| 155566319 | 175157 | 0 | None | -4677 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1850 | 71 | 16 | 23 | 3.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4583158 | 175157 | 0 | None | -4677 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1850 | 71 | 16 | 23 | 3.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL64605 | 214069 | 6 | None | -3 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00530 | ||||
| CHEMBL409529 | 211010 | 1 | None | -11 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00093a013 | ||||
| 155555065 | 173752 | 0 | None | -4168 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1836 | 71 | 17 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4550876 | 173752 | 0 | None | -4168 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1836 | 71 | 17 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 162657745 | 180424 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1475 | 37 | 14 | 19 | -1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL4759105 | 180424 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1475 | 37 | 14 | 19 | -1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL266839 | 208949 | 0 | None | -7 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00093a013 | ||||
| CHEMBL218763 | 207644 | 0 | None | -2 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 162666759 | 181728 | 0 | None | 17 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 846 | 23 | 9 | 9 | 2.9 | CC(C)C[C@@H](/C=C/NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)OC(C)(C)C | 10.1021/acs.jmedchem.0c00530 | ||
| CHEMBL4784305 | 181728 | 0 | None | 17 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 846 | 23 | 9 | 9 | 2.9 | CC(C)C[C@@H](/C=C/NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)OC(C)(C)C | 10.1021/acs.jmedchem.0c00530 | ||
| 155562281 | 175258 | 0 | None | -4168 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1900 | 71 | 16 | 23 | 4.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4585323 | 175258 | 0 | None | -4168 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1900 | 71 | 16 | 23 | 4.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 44418923 | 161224 | 0 | None | -5 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL414087 | 161224 | 0 | None | -5 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL218763 | 207644 | 0 | None | -2 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 155517761 | 169645 | 0 | None | -416 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1900 | 71 | 16 | 23 | 4.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4445529 | 169645 | 0 | None | -416 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1900 | 71 | 16 | 23 | 4.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 44346355 | 157313 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1260 | 26 | 13 | 15 | 1.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||
| CHEMBL408389 | 157313 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1260 | 26 | 13 | 15 | 1.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||
| 155543163 | 172705 | 0 | None | -8709 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1886 | 72 | 16 | 25 | 2.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4525615 | 172705 | 0 | None | -8709 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1886 | 72 | 16 | 25 | 2.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL408330 | 210948 | 0 | None | 1 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| CHEMBL217609 | 207624 | 0 | None | -6 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00093a013 | ||||
| CHEMBL408330 | 210948 | 0 | None | 1 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| CHEMBL208479 | 207445 | 0 | None | -33 | 5 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| CHEMBL208479 | 207445 | 0 | None | -33 | 5 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 10509945 | 88940 | 0 | None | -63 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 896 | 26 | 9 | 9 | 2.1 | CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL2369816 | 88940 | 0 | None | -63 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 896 | 26 | 9 | 9 | 2.1 | CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL407057 | 210878 | 0 | None | -1 | 5 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O | 10.1021/jm050921q | ||||
| 10628422 | 108673 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 692 | 19 | 6 | 8 | 0.9 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)OC | 10.1021/jm0000416 | ||
| CHEMBL321456 | 108673 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 692 | 19 | 6 | 8 | 0.9 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)OC | 10.1021/jm0000416 | ||
| 44578767 | 172934 | 0 | None | -3 | 2 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 517 | 6 | 0 | 6 | 5.8 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL453083 | 172934 | 0 | None | -3 | 2 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 517 | 6 | 0 | 6 | 5.8 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| CHEMBL503822 | 172934 | 0 | None | -3 | 2 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 517 | 6 | 0 | 6 | 5.8 | CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2008.06.057 | ||
| 1647 | 1281 | 39 | None | 3 | 9 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800174p | ||||
| 5462471 | 1281 | 39 | None | 3 | 9 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800174p | ||||
| CHEMBL113995 | 1281 | 39 | None | 3 | 9 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800174p | ||||
| CHEMBL38874 | 1281 | 39 | None | 3 | 9 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800174p | ||||
| 155568312 | 175494 | 0 | None | -36 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1836 | 72 | 17 | 23 | 3.0 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4591101 | 175494 | 0 | None | -36 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1836 | 72 | 17 | 23 | 3.0 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL218327 | 207639 | 0 | None | 2 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 9853654 | 22573 | 37 | None | -9 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL1328 | 22573 | 37 | None | -9 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL218327 | 207639 | 0 | None | 2 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 44396746 | 126526 | 0 | None | -16 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 637 | 8 | 2 | 6 | 5.7 | C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| CHEMBL365620 | 126526 | 0 | None | -16 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 637 | 8 | 2 | 6 | 5.7 | C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| 155540394 | 172357 | 0 | None | -58 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1820 | 69 | 17 | 23 | 2.7 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4516794 | 172357 | 0 | None | -58 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1820 | 69 | 17 | 23 | 2.7 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 4627 | 807 | 44 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050921q | ||||
| 864 | 807 | 44 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050921q | ||||
| 9833444 | 807 | 44 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050921q | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050921q | ||||
| DB09142 | 807 | 44 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050921q | ||||
| CHEMBL269185 | 209025 | 0 | None | -5 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)NCC(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00093a013 | ||||
| CHEMBL375360 | 210461 | 4 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm061268p | ||||
| 4627 | 807 | 44 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050921q | ||||
| 864 | 807 | 44 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050921q | ||||
| 9833444 | 807 | 44 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050921q | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050921q | ||||
| DB09142 | 807 | 44 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm050921q | ||||
| 52949124 | 861 | 2 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 10723875 | 14758 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 767 | 21 | 7 | 7 | 2.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)NCc1ccccc1 | 10.1021/jm0000416 | ||
| CHEMBL120827 | 14758 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 767 | 21 | 7 | 7 | 2.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)NCc1ccccc1 | 10.1021/jm0000416 | ||
| CHEMBL411271 | 211118 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||||
| CHEMBL336381 | 209827 | 0 | None | 2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 155540739 | 171930 | 0 | None | -3388 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1907 | 74 | 17 | 24 | 2.5 | CCCC[C@H](NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4483457 | 171930 | 0 | None | -3388 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1907 | 74 | 17 | 24 | 2.5 | CCCC[C@H](NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL336381 | 209827 | 0 | None | 2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| CHEMBL383458 | 210556 | 0 | None | -1 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| CHEMBL383458 | 210556 | 0 | None | -1 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| CHEMBL205965 | 207415 | 0 | None | 42 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| CHEMBL205965 | 207415 | 0 | None | 42 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 73347063 | 89010 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 674 | 11 | 7 | 6 | 2.4 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL2371221 | 89010 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 674 | 11 | 7 | 6 | 2.4 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL382349 | 210545 | 0 | None | 14 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 44418924 | 156328 | 0 | None | -8 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL407198 | 156328 | 0 | None | -8 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL382349 | 210545 | 0 | None | 14 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 162672110 | 182268 | 0 | None | 39 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 848 | 22 | 9 | 9 | 2.0 | CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00530 | ||
| CHEMBL4791620 | 182268 | 0 | None | 39 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 848 | 22 | 9 | 9 | 2.0 | CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00530 | ||
| 155535107 | 171438 | 0 | None | -323 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1904 | 73 | 19 | 22 | 4.7 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4471525 | 171438 | 0 | None | -323 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1904 | 73 | 19 | 22 | 4.7 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 155531277 | 171055 | 0 | None | -2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1821 | 72 | 18 | 23 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4465747 | 171055 | 0 | None | -2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1821 | 72 | 18 | 23 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 44396745 | 124505 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 623 | 8 | 2 | 6 | 5.5 | CN(C)c1ccc(N2C(=O)CC3[C@H](N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC4C5CC6CC(C5)CC4C6)CCCN3C2=O)cc1 | 10.1021/jm0498755 | ||
| CHEMBL364334 | 124505 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 623 | 8 | 2 | 6 | 5.5 | CN(C)c1ccc(N2C(=O)CC3[C@H](N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC4C5CC6CC(C5)CC4C6)CCCN3C2=O)cc1 | 10.1021/jm0498755 | ||
| CHEMBL2370248 | 208059 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00093a013 | ||||
| 44580932 | 172888 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 617 | 14 | 6 | 10 | -1.5 | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5c4[C@@]2(CCN3C)[C@H]1O5 | 10.1021/jm800174p | ||
| CHEMBL452991 | 172888 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 617 | 14 | 6 | 10 | -1.5 | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5c4[C@@]2(CCN3C)[C@H]1O5 | 10.1021/jm800174p | ||
| 52949124 | 861 | 2 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL386682 | 210630 | 0 | None | -60 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00093a013 | ||||
| CHEMBL206974 | 207428 | 0 | None | 2 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| CHEMBL206974 | 207428 | 0 | None | 2 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 44387568 | 61863 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm0000416 | ||
| CHEMBL177799 | 61863 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm0000416 | ||
| 10327028 | 89011 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL2371222 | 89011 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| 10439779 | 106191 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 710 | 11 | 7 | 8 | 2.2 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL3143501 | 106191 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 710 | 11 | 7 | 8 | 2.2 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL262172 | 208773 | 0 | None | -19 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| CHEMBL262172 | 208773 | 0 | None | -19 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 155535249 | 171427 | 0 | None | -2754 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1808 | 68 | 16 | 23 | 2.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4471373 | 171427 | 0 | None | -2754 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1808 | 68 | 16 | 23 | 2.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 155515427 | 169371 | 0 | None | -1819 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1886 | 72 | 17 | 23 | 4.2 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4441596 | 169371 | 0 | None | -1819 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1886 | 72 | 17 | 23 | 4.2 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL217236 | 207617 | 0 | None | -4 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00093a013 | ||||
| 52949124 | 861 | 2 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 44396655 | 121523 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 608 | 8 | 2 | 5 | 5.7 | C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| CHEMBL359589 | 121523 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 608 | 8 | 2 | 5 | 5.7 | C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| 45113249 | 5400 | 0 | None | - | 0 | Human | 8.5 | pED50 | = | 8.5 | Functional | ChEMBL | 1259 | 33 | 13 | 12 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)CCNC(=S)Nc1ccc(O)c(NC(=O)CNC(=O)CSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2009.09.043 | ||
| CHEMBL1076229 | 5400 | 0 | None | - | 0 | Human | 8.5 | pED50 | = | 8.5 | Functional | ChEMBL | 1259 | 33 | 13 | 12 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)CCNC(=S)Nc1ccc(O)c(NC(=O)CNC(=O)CSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2009.09.043 | ||
| 45113375 | 5402 | 0 | None | - | 0 | Human | 8.3 | pED50 | = | 8.3 | Functional | ChEMBL | 1344 | 39 | 13 | 12 | 7.8 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)CCCCCNC(=S)Nc1ccc(O)c(NC(=O)CNC(=O)CSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2009.09.043 | ||
| CHEMBL1076232 | 5402 | 0 | None | - | 0 | Human | 8.3 | pED50 | = | 8.3 | Functional | ChEMBL | 1344 | 39 | 13 | 12 | 7.8 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)CCCCCNC(=S)Nc1ccc(O)c(NC(=O)CNC(=O)CSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.ejmech.2009.09.043 | ||
| 46879513 | 5401 | 0 | None | - | 0 | Human | 7.1 | pED50 | = | 7.1 | Functional | ChEMBL | 1118 | 27 | 11 | 10 | 7.0 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=S)Nc1ccc(O)c(NC(=O)CNC(=O)CSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.ejmech.2009.09.043 | ||
| CHEMBL1076230 | 5401 | 0 | None | - | 0 | Human | 7.1 | pED50 | = | 7.1 | Functional | ChEMBL | 1118 | 27 | 11 | 10 | 7.0 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=S)Nc1ccc(O)c(NC(=O)CNC(=O)CSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.ejmech.2009.09.043 | ||
| 70697518 | 77438 | 0 | None | -1 | 2 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 367 | 3 | 2 | 3 | 4.4 | O=C1Nc2ccccc2C(c2ccccc2)=NC1C[C@@H]1CNc2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL2092748 | 77438 | 0 | None | -1 | 2 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 367 | 3 | 2 | 3 | 4.4 | O=C1Nc2ccccc2C(c2ccccc2)=NC1C[C@@H]1CNc2ccccc21 | 10.1021/jm00390a019 | ||
| 44281084 | 112182 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 497 | 8 | 3 | 4 | 3.3 | O=C(O)CNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL33043 | 112182 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 497 | 8 | 3 | 4 | 3.3 | O=C(O)CNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280368 | 96436 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 573 | 8 | 2 | 4 | 5.4 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccc(C(=O)O)cc1 | 10.1021/jm950372w | ||
| CHEMBL265740 | 96436 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 573 | 8 | 2 | 4 | 5.4 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccc(C(=O)O)cc1 | 10.1021/jm950372w | ||
| 44280992 | 99644 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 678 | 12 | 4 | 5 | 5.5 | CC1(C)CCC(NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL287564 | 99644 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 678 | 12 | 4 | 5 | 5.5 | CC1(C)CCC(NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1021/jm950372w | ||
| 44280620 | 103426 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 686 | 15 | 4 | 5 | 5.2 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCCc1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL30924 | 103426 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 686 | 15 | 4 | 5 | 5.2 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCCc1ccccc1 | 10.1021/jm950372w | ||
| 44280113 | 167656 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 684 | 12 | 4 | 5 | 5.5 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2c(c1)CCC2 | 10.1021/jm950372w | ||
| CHEMBL433623 | 167656 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 684 | 12 | 4 | 5 | 5.5 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2c(c1)CCC2 | 10.1021/jm950372w | ||
| 44280895 | 167522 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 652 | 15 | 3 | 5 | 5.1 | CCCN(CCC)C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL432679 | 167522 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 652 | 15 | 3 | 5 | 5.1 | CCCN(CCC)C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44212546 | 99453 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 626 | 10 | 4 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL286228 | 99453 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 626 | 10 | 4 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| 44280314 | 169116 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL443781 | 169116 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| 13822916 | 189124 | 0 | None | -39 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 421 | 3 | 1 | 4 | 5.3 | Cc1nnc2n1-c1ccccc1C(c1ccccc1F)=N[C@@H]2Cc1c[nH]c2ccccc12 | 10.1021/jm00390a019 | ||
| CHEMBL51569 | 189124 | 0 | None | -39 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 421 | 3 | 1 | 4 | 5.3 | Cc1nnc2n1-c1ccccc1C(c1ccccc1F)=N[C@@H]2Cc1c[nH]c2ccccc12 | 10.1021/jm00390a019 | ||
| 65987 | 99103 | 9 | None | 10 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 440 | 6 | 2 | 3 | 4.1 | O=C(O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL283820 | 99103 | 9 | None | 10 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 440 | 6 | 2 | 3 | 4.1 | O=C(O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280179 | 102534 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 601 | 11 | 3 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(CCc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30696 | 102534 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 601 | 11 | 3 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(CCc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| 44280090 | 99062 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 640 | 11 | 4 | 4 | 5.7 | O=C(O)CC(Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL283460 | 99062 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 640 | 11 | 4 | 4 | 5.7 | O=C(O)CC(Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280245 | 99560 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 708 | 12 | 3 | 5 | 6.2 | CN(C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL286941 | 99560 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 708 | 12 | 3 | 5 | 6.2 | CN(C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1cccc2ccccc12 | 10.1021/jm950372w | ||
| 656755 | 67353 | 28 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 397 | 3 | 1 | 2 | 4.7 | CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907717 | 67353 | 28 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 397 | 3 | 1 | 2 | 4.7 | CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| 15167802 | 67355 | 0 | None | 2 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 436 | 5 | 1 | 3 | 5.0 | N#CCCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907720 | 67355 | 0 | None | 2 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 436 | 5 | 1 | 3 | 5.0 | N#CCCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| 15614841 | 67364 | 0 | None | 6 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 390 | 5 | 1 | 3 | 4.7 | O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1COCc1ccccc1 | 10.1021/jm00390a019 | ||
| CHEMBL1907734 | 67364 | 0 | None | 6 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 390 | 5 | 1 | 3 | 4.7 | O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1COCc1ccccc1 | 10.1021/jm00390a019 | ||
| 15614739 | 75054 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 350 | 3 | 1 | 3 | 4.3 | O=C1Nc2ccccc2C(c2ccccc2F)=NC1Cc1ccsc1 | 10.1021/jm00390a019 | ||
| CHEMBL20408 | 75054 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 350 | 3 | 1 | 3 | 4.3 | O=C1Nc2ccccc2C(c2ccccc2F)=NC1Cc1ccsc1 | 10.1021/jm00390a019 | ||
| 20063212 | 166577 | 0 | None | 3 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 395 | 3 | 0 | 3 | 4.5 | CN1CC(CC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL429063 | 166577 | 0 | None | 3 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 395 | 3 | 0 | 3 | 4.5 | CN1CC(CC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c2ccccc21 | 10.1021/jm00390a019 | ||
| 44279853 | 104301 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 593 | 10 | 3 | 4 | 5.6 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](CC1CCCCC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL31093 | 104301 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 593 | 10 | 3 | 4 | 5.6 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](CC1CCCCC1)C(=O)O | 10.1021/jm950372w | ||
| 44418923 | 161224 | 0 | None | -5 | 5 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL414087 | 161224 | 0 | None | -5 | 5 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| 44280622 | 118696 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 698 | 12 | 4 | 5 | 5.9 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2c1CCCC2 | 10.1021/jm950372w | ||
| CHEMBL34332 | 118696 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 698 | 12 | 4 | 5 | 5.9 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2c1CCCC2 | 10.1021/jm950372w | ||
| 44280374 | 102381 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 559 | 8 | 3 | 4 | 5.4 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)Nc1cccc(C(=O)O)c1 | 10.1021/jm950372w | ||
| CHEMBL30575 | 102381 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 559 | 8 | 3 | 4 | 5.4 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)Nc1cccc(C(=O)O)c1 | 10.1021/jm950372w | ||
| 44280510 | 102469 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 621 | 10 | 3 | 4 | 5.5 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1ccc(Cl)cc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30639 | 102469 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 621 | 10 | 3 | 4 | 5.5 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1ccc(Cl)cc1)C(=O)O | 10.1021/jm950372w | ||
| 44280406 | 119008 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 658 | 12 | 3 | 5 | 5.1 | CN(C(=O)[C@@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL34569 | 119008 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 658 | 12 | 3 | 5 | 5.1 | CN(C(=O)[C@@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1 | 10.1021/jm950372w | ||
| 44280598 | 100014 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL291001 | 100014 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| 44280399 | 102608 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 603 | 10 | 4 | 5 | 4.6 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1ccc(O)cc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30756 | 102608 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 603 | 10 | 4 | 5 | 4.6 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1ccc(O)cc1)C(=O)O | 10.1021/jm950372w | ||
| 44396655 | 121523 | 0 | None | 3 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 608 | 8 | 2 | 5 | 5.7 | C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| CHEMBL359589 | 121523 | 0 | None | 3 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 608 | 8 | 2 | 5 | 5.7 | C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| 70697534 | 77479 | 0 | None | 1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 367 | 3 | 2 | 3 | 4.4 | O=C1Nc2ccccc2C(c2ccccc2)=NC1C[C@H]1CNc2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL2092989 | 77479 | 0 | None | 1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 367 | 3 | 2 | 3 | 4.4 | O=C1Nc2ccccc2C(c2ccccc2)=NC1C[C@H]1CNc2ccccc21 | 10.1021/jm00390a019 | ||
| 44280131 | 99118 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 680 | 11 | 4 | 5 | 5.8 | O=C(O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL283914 | 99118 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 680 | 11 | 4 | 5 | 5.8 | O=C(O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| 44280177 | 99016 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 601 | 11 | 3 | 4 | 5.3 | O=C(O)C[C@H](Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL283204 | 99016 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 601 | 11 | 3 | 4 | 5.3 | O=C(O)C[C@H](Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 5311201 | 205653 | 30 | None | 1 | 7 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00067a001 | ||
| CHEMBL9387 | 205653 | 30 | None | 1 | 7 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00067a001 | ||
| 44280915 | 99802 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 676 | 10 | 3 | 5 | 5.2 | O=C(O)C[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL289008 | 99802 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 676 | 10 | 3 | 5 | 5.2 | O=C(O)C[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44279852 | 98890 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 690 | 11 | 3 | 5 | 5.6 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL282476 | 98890 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 690 | 11 | 3 | 5 | 5.6 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 15167824 | 67362 | 0 | None | -2 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 379 | 3 | 1 | 2 | 4.6 | CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907731 | 67362 | 0 | None | -2 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 379 | 3 | 1 | 2 | 4.6 | CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00390a019 | ||
| 44396746 | 126526 | 0 | None | -16 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 637 | 8 | 2 | 6 | 5.7 | C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| CHEMBL365620 | 126526 | 0 | None | -16 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 637 | 8 | 2 | 6 | 5.7 | C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| 44351469 | 116422 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 603 | 7 | 3 | 4 | 6.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CC(c2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338526 | 116422 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 603 | 7 | 3 | 4 | 6.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CC(c2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44280316 | 96303 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 680 | 11 | 4 | 5 | 5.8 | O=C(C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL264606 | 96303 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 680 | 11 | 4 | 5 | 5.8 | O=C(C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| 15614824 | 67372 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 453 | 6 | 1 | 2 | 6.1 | CC(C)CCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907743 | 67372 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 453 | 6 | 1 | 2 | 6.1 | CC(C)CCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| 44280893 | 98766 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 652 | 13 | 4 | 5 | 5.0 | CC(C)(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL281671 | 98766 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 652 | 13 | 4 | 5 | 5.0 | CC(C)(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280193 | 102643 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 672 | 13 | 3 | 5 | 5.1 | CN(Cc1ccccc1)C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL30784 | 102643 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 672 | 13 | 3 | 5 | 5.1 | CN(Cc1ccccc1)C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44279938 | 162063 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 637 | 10 | 3 | 4 | 6.0 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1ccc2ccccc2c1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL416944 | 162063 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 637 | 10 | 3 | 4 | 6.0 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1ccc2ccccc2c1)C(=O)O | 10.1021/jm950372w | ||
| 15167783 | 67365 | 0 | None | -1 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 409 | 4 | 3 | 3 | 4.3 | O=C(O)c1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907735 | 67365 | 0 | None | -1 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 409 | 4 | 3 | 3 | 4.3 | O=C(O)c1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc21 | 10.1021/jm00390a019 | ||
| 44280110 | 102404 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 587 | 10 | 3 | 4 | 4.9 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30592 | 102404 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 587 | 10 | 3 | 4 | 4.9 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| 44280112 | 99121 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 684 | 11 | 3 | 5 | 5.4 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCCc2ccccc21 | 10.1021/jm950372w | ||
| CHEMBL283924 | 99121 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 684 | 11 | 3 | 5 | 5.4 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCCc2ccccc21 | 10.1021/jm950372w | ||
| 15614830 | 67361 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 469 | 6 | 1 | 4 | 4.7 | CCOC(=O)CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907730 | 67361 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 469 | 6 | 1 | 4 | 4.7 | CCOC(=O)CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| 15614828 | 67363 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 454 | 6 | 1 | 3 | 4.7 | CN(C)CCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907733 | 67363 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 454 | 6 | 1 | 3 | 4.7 | CN(C)CCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| 44280130 | 160720 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 670 | 11 | 3 | 5 | 5.0 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc21 | 10.1021/jm950372w | ||
| CHEMBL412108 | 160720 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 670 | 11 | 3 | 5 | 5.0 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc21 | 10.1021/jm950372w | ||
| CHEMBL375360 | 210461 | 4 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm061268p | ||||
| 44280163 | 103881 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 658 | 12 | 3 | 5 | 4.7 | CN(Cc1ccccc1)C(=O)[C@H](CC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL31018 | 103881 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 658 | 12 | 3 | 5 | 4.7 | CN(Cc1ccccc1)C(=O)[C@H](CC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280974 | 99532 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 690 | 11 | 3 | 5 | 5.4 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2CCCCC2C1 | 10.1021/jm950372w | ||
| CHEMBL286763 | 99532 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 690 | 11 | 3 | 5 | 5.4 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2CCCCC2C1 | 10.1021/jm950372w | ||
| 15167770 | 67368 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 369 | 3 | 2 | 2 | 5.2 | Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)CNc2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907738 | 67368 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 369 | 3 | 2 | 2 | 5.2 | Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)CNc2ccccc21 | 10.1021/jm00390a019 | ||
| 44280363 | 101857 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 511 | 8 | 2 | 4 | 3.6 | CN(CC(=O)O)C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL30369 | 101857 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 511 | 8 | 2 | 4 | 3.6 | CN(CC(=O)O)C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 108187 | 911 | 30 | None | -91 | 5 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970439a | ||
| 873 | 911 | 30 | None | -91 | 5 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970439a | ||
| CHEMBL2062154 | 911 | 30 | None | -91 | 5 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970439a | ||
| CHEMBL287735 | 911 | 30 | None | -91 | 5 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970439a | ||
| 9865694 | 202466 | 0 | None | -8 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 399 | 3 | 2 | 2 | 5.2 | O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1Cc1c[nH]c2ccccc12 | 10.1021/jm00390a019 | ||
| CHEMBL70728 | 202466 | 0 | None | -8 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 399 | 3 | 2 | 2 | 5.2 | O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1Cc1c[nH]c2ccccc12 | 10.1021/jm00390a019 | ||
| 44280509 | 98932 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 588 | 10 | 3 | 5 | 4.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1ccccn1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL282732 | 98932 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 588 | 10 | 3 | 5 | 4.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1ccccn1)C(=O)O | 10.1021/jm950372w | ||
| 44280178 | 102136 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 601 | 11 | 3 | 4 | 5.3 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL30422 | 102136 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 601 | 11 | 3 | 4 | 5.3 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280694 | 99803 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 571 | 11 | 3 | 5 | 4.4 | CSCCC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL289018 | 99803 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 571 | 11 | 3 | 5 | 4.4 | CSCCC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 44280246 | 101681 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2ccccc2c1 | 10.1021/jm950372w | ||
| CHEMBL30262 | 101681 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2ccccc2c1 | 10.1021/jm950372w | ||
| 44280123 | 98803 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 626 | 10 | 4 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL281903 | 98803 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 626 | 10 | 4 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| 44280397 | 103188 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 587 | 10 | 3 | 4 | 4.9 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30875 | 103188 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 587 | 10 | 3 | 4 | 4.9 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| 44280233 | 98738 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 672 | 13 | 3 | 5 | 5.1 | CN(Cc1ccccc1)C(=O)[C@@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL281490 | 98738 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 672 | 13 | 3 | 5 | 5.1 | CN(Cc1ccccc1)C(=O)[C@@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44279937 | 104370 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 690 | 11 | 3 | 5 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL31101 | 104370 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 690 | 11 | 3 | 5 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44351445 | 116421 | 0 | None | - | 1 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 654 | 8 | 3 | 6 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338525 | 116421 | 0 | None | - | 1 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 654 | 8 | 3 | 6 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44280234 | 101802 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 658 | 13 | 4 | 5 | 4.7 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL30335 | 101802 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 658 | 13 | 4 | 5 | 4.7 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1ccccc1 | 10.1021/jm950372w | ||
| 15556550 | 67366 | 0 | None | 1 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 326 | 3 | 1 | 2 | 4.5 | CC(C)C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O | 10.1021/jm00390a019 | ||
| CHEMBL1907736 | 67366 | 0 | None | 1 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 326 | 3 | 1 | 2 | 4.5 | CC(C)C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O | 10.1021/jm00390a019 | ||
| 44351444 | 116373 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 622 | 8 | 3 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338300 | 116373 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 622 | 8 | 3 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 5311201 | 205653 | 30 | None | -7 | 7 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970439a | ||
| CHEMBL9387 | 205653 | 30 | None | -7 | 7 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970439a | ||
| 44280502 | 98914 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 672 | 14 | 4 | 5 | 4.8 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCc1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL282639 | 98914 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 672 | 14 | 4 | 5 | 4.8 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCc1ccccc1 | 10.1021/jm950372w | ||
| 44418924 | 156328 | 0 | None | -8 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL407198 | 156328 | 0 | None | -8 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| 9800177 | 67352 | 0 | None | 1 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 383 | 3 | 2 | 2 | 4.7 | O=C1Nc2ccccc2C(c2ccccc2F)=N[C@@H]1Cc1c[nH]c2ccccc12 | 10.1021/jm00390a019 | ||
| CHEMBL1907714 | 67352 | 0 | None | 1 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 383 | 3 | 2 | 2 | 4.7 | O=C1Nc2ccccc2C(c2ccccc2F)=N[C@@H]1Cc1c[nH]c2ccccc12 | 10.1021/jm00390a019 | ||
| 44280350 | 99377 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 658 | 12 | 3 | 5 | 4.7 | CN(Cc1ccccc1)C(=O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL285739 | 99377 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 658 | 12 | 3 | 5 | 4.7 | CN(Cc1ccccc1)C(=O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 44396745 | 124505 | 0 | None | -4 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 623 | 8 | 2 | 6 | 5.5 | CN(C)c1ccc(N2C(=O)CC3[C@H](N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC4C5CC6CC(C5)CC4C6)CCCN3C2=O)cc1 | 10.1021/jm0498755 | ||
| CHEMBL364334 | 124505 | 0 | None | -4 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 623 | 8 | 2 | 6 | 5.5 | CN(C)c1ccc(N2C(=O)CC3[C@H](N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC4C5CC6CC(C5)CC4C6)CCCN3C2=O)cc1 | 10.1021/jm0498755 | ||
| 44280894 | 112998 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 708 | 19 | 3 | 5 | 6.6 | CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL33209 | 112998 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 708 | 19 | 3 | 5 | 6.6 | CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280381 | 102458 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 511 | 9 | 3 | 4 | 3.6 | O=C(O)CCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL30634 | 102458 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 511 | 9 | 3 | 4 | 3.6 | O=C(O)CCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280111 | 99494 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 684 | 11 | 3 | 5 | 5.0 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc2C1 | 10.1021/jm950372w | ||
| CHEMBL286510 | 99494 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 684 | 11 | 3 | 5 | 5.0 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc2C1 | 10.1021/jm950372w | ||
| 15614734 | 67360 | 0 | None | -2 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 411 | 3 | 0 | 3 | 4.7 | CN1C(=O)[C@@H](Cc2cn(C)c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907729 | 67360 | 0 | None | -2 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 411 | 3 | 0 | 3 | 4.7 | CN1C(=O)[C@@H](Cc2cn(C)c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| 15167776 | 67359 | 0 | None | 4 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 5 | 2 | 3 | 4.2 | O=C(O)CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907728 | 67359 | 0 | None | 4 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 5 | 2 | 3 | 4.2 | O=C(O)CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| 14444002 | 120528 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 635 | 15 | 6 | 6 | 3.8 | CC(C)CC(CC(=O)NC(CC(=O)O)C(=O)NCc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| CHEMBL356844 | 120528 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 635 | 15 | 6 | 6 | 3.8 | CC(C)CC(CC(=O)NC(CC(=O)O)C(=O)NCc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| 15614807 | 67370 | 0 | None | 1 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 365 | 3 | 2 | 2 | 4.6 | O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Cc1c[nH]c2ccccc12 | 10.1021/jm00390a019 | ||
| CHEMBL1907740 | 67370 | 0 | None | 1 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 365 | 3 | 2 | 2 | 4.6 | O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Cc1c[nH]c2ccccc12 | 10.1021/jm00390a019 | ||
| 44351446 | 155588 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 631 | 9 | 3 | 8 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL406359 | 155588 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 631 | 9 | 3 | 8 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44279957 | 98741 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 553 | 10 | 3 | 4 | 4.7 | CC(C)CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL281507 | 98741 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 553 | 10 | 3 | 4 | 4.7 | CC(C)CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 44280091 | 167863 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 640 | 10 | 3 | 4 | 5.7 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL434967 | 167863 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 640 | 10 | 3 | 4 | 5.7 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| 44280244 | 13100 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 695 | 12 | 4 | 6 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2cccnc12 | 10.1021/jm950372w | ||
| CHEMBL1191257 | 13100 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 695 | 12 | 4 | 6 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2cccnc12 | 10.1021/jm950372w | ||
| CHEMBL542330 | 13100 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 695 | 12 | 4 | 6 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2cccnc12 | 10.1021/jm950372w | ||
| 44280103 | 167384 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 573 | 8 | 2 | 4 | 5.4 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1C(=O)O | 10.1021/jm950372w | ||
| CHEMBL431692 | 167384 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 573 | 8 | 2 | 4 | 5.4 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1C(=O)O | 10.1021/jm950372w | ||
| 44280315 | 101135 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 672 | 13 | 3 | 5 | 5.1 | CN(Cc1ccccc1)C(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL29891 | 101135 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 672 | 13 | 3 | 5 | 5.1 | CN(Cc1ccccc1)C(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 44280102 | 102223 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 587 | 10 | 3 | 4 | 4.9 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30481 | 102223 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 587 | 10 | 3 | 4 | 4.9 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| 44280387 | 119250 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 559 | 8 | 3 | 4 | 5.4 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)Nc1ccccc1C(=O)O | 10.1021/jm950372w | ||
| CHEMBL34797 | 119250 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 559 | 8 | 3 | 4 | 5.4 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)Nc1ccccc1C(=O)O | 10.1021/jm950372w | ||
| 44351455 | 116306 | 0 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 604 | 8 | 3 | 6 | 4.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL337934 | 116306 | 0 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 604 | 8 | 3 | 6 | 4.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44351454 | 116305 | 0 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 712 | 8 | 3 | 6 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(I)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL337933 | 116305 | 0 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 712 | 8 | 3 | 6 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(I)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44280375 | 98638 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 559 | 8 | 3 | 4 | 5.4 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)Nc1ccc(C(=O)O)cc1 | 10.1021/jm950372w | ||
| CHEMBL280832 | 98638 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 559 | 8 | 3 | 4 | 5.4 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)Nc1ccc(C(=O)O)cc1 | 10.1021/jm950372w | ||
| 44280621 | 103435 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 658 | 13 | 4 | 5 | 4.4 | O=C(O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCc1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL30926 | 103435 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 658 | 13 | 4 | 5 | 4.4 | O=C(O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCc1ccccc1 | 10.1021/jm950372w | ||
| 15167804 | 67354 | 0 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 455 | 6 | 2 | 3 | 4.6 | O=C(O)CCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907719 | 67354 | 0 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 455 | 6 | 2 | 3 | 4.6 | O=C(O)CCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00390a019 | ||
| 15614820 | 67367 | 0 | None | -1 | 2 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 437 | 5 | 1 | 2 | 5.5 | O=C1[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc2N1CC1CC1 | 10.1021/jm00390a019 | ||
| CHEMBL1907737 | 67367 | 0 | None | -1 | 2 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 437 | 5 | 1 | 2 | 5.5 | O=C1[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc2N1CC1CC1 | 10.1021/jm00390a019 | ||
| 44280000 | 102765 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 525 | 10 | 3 | 4 | 4.0 | O=C(O)CCCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL30844 | 102765 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 525 | 10 | 3 | 4 | 4.0 | O=C(O)CCCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 15167820 | 67357 | 0 | None | -1 | 2 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 393 | 3 | 0 | 3 | 4.6 | CN1C(=O)[C@@H](Cc2cn(C)c3ccccc23)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907724 | 67357 | 0 | None | -1 | 2 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 393 | 3 | 0 | 3 | 4.6 | CN1C(=O)[C@@H](Cc2cn(C)c3ccccc23)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00390a019 | ||
| 44280599 | 98692 | 0 | None | 630 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL281206 | 98692 | 0 | None | 630 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| 44280122 | 99026 | 0 | None | 169 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 640 | 10 | 3 | 4 | 5.7 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL283276 | 99026 | 0 | None | 169 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 640 | 10 | 3 | 4 | 5.7 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| 44280993 | 117820 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 678 | 12 | 4 | 5 | 5.5 | CC1(C)CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL34101 | 117820 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 678 | 12 | 4 | 5 | 5.5 | CC1(C)CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1021/jm950372w | ||
| 39760 | 67408 | 1 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 399 | 3 | 2 | 2 | 5.2 | O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1Cc1c[nH]c2ccccc12 | 10.1021/jm00390a019 | ||
| CHEMBL1907931 | 67408 | 1 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 399 | 3 | 2 | 2 | 5.2 | O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1Cc1c[nH]c2ccccc12 | 10.1021/jm00390a019 | ||
| 44280398 | 98775 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 601 | 10 | 2 | 4 | 5.2 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL281728 | 98775 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 601 | 10 | 2 | 4 | 5.2 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| 44351519 | 167943 | 0 | None | - | 1 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 620 | 8 | 3 | 6 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL435404 | 167943 | 0 | None | - | 1 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 620 | 8 | 3 | 6 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44280508 | 99352 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 601 | 10 | 3 | 4 | 5.3 | CC(Cc1ccccc1)(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL285559 | 99352 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 601 | 10 | 3 | 4 | 5.3 | CC(Cc1ccccc1)(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 44280205 | 12942 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 695 | 12 | 4 | 6 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ncccc12 | 10.1021/jm950372w | ||
| CHEMBL1190133 | 12942 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 695 | 12 | 4 | 6 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ncccc12 | 10.1021/jm950372w | ||
| CHEMBL540261 | 12942 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 695 | 12 | 4 | 6 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ncccc12 | 10.1021/jm950372w | ||
| 44280729 | 167655 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 644 | 12 | 4 | 5 | 4.3 | O=C(CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O)NCc1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL433621 | 167655 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 644 | 12 | 4 | 5 | 4.3 | O=C(CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O)NCc1ccccc1 | 10.1021/jm950372w | ||
| 168269598 | 189406 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 325 | 6 | 0 | 4 | 3.3 | C#CCOC1OC(=O)C(Cl)=C1N(CC(C)C)C1CCCCC1 | 10.1016/j.bmc.2022.116815 | ||
| CHEMBL5171437 | 189406 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 325 | 6 | 0 | 4 | 3.3 | C#CCOC1OC(=O)C(Cl)=C1N(CC(C)C)C1CCCCC1 | 10.1016/j.bmc.2022.116815 | ||
| 44280507 | 112984 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 573 | 9 | 3 | 4 | 5.0 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(C(=O)O)c1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL33200 | 112984 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 573 | 9 | 3 | 4 | 5.0 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(C(=O)O)c1ccccc1 | 10.1021/jm950372w | ||
| 136067266 | 67369 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 303 | 2 | 2 | 2 | 3.5 | CC1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc21 | 10.1021/jm00390a019 | ||
| CHEMBL1907739 | 67369 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 303 | 2 | 2 | 2 | 3.5 | CC1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc21 | 10.1021/jm00390a019 | ||
| 4355450 | 135391 | 43 | None | -12 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00067a001 | ||
| CHEMBL37312 | 135391 | 43 | None | -12 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00067a001 | ||
| 44280270 | 98748 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 601 | 10 | 2 | 4 | 5.2 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL281560 | 98748 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 601 | 10 | 2 | 4 | 5.2 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| 168286058 | 190717 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 295 | 6 | 1 | 4 | 2.8 | CC(C)CNC1=C(Cl)C(=O)OC1OCc1ccccc1 | 10.1016/j.bmc.2022.116815 | ||
| CHEMBL5191421 | 190717 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 295 | 6 | 1 | 4 | 2.8 | CC(C)CNC1=C(Cl)C(=O)OC1OCc1ccccc1 | 10.1016/j.bmc.2022.116815 | ||
| 44280176 | 98840 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 615 | 12 | 3 | 4 | 5.6 | O=C(O)CCC(Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL282099 | 98840 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 615 | 12 | 3 | 4 | 5.6 | O=C(O)CCC(Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280973 | 99392 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 704 | 12 | 4 | 5 | 5.9 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NC1CCC2CCCCC2C1 | 10.1021/jm950372w | ||
| CHEMBL285857 | 99392 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 704 | 12 | 4 | 5 | 5.9 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NC1CCC2CCCCC2C1 | 10.1021/jm950372w | ||
| 44280269 | 98747 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 626 | 10 | 4 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL281559 | 98747 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 626 | 10 | 4 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| 44279939 | 98846 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 637 | 10 | 3 | 4 | 6.0 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1cccc2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL282149 | 98846 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 637 | 10 | 3 | 4 | 6.0 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1cccc2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| 44280501 | 99548 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 698 | 12 | 4 | 5 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NC1CCCc2ccccc21 | 10.1021/jm950372w | ||
| CHEMBL286847 | 99548 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 698 | 12 | 4 | 5 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NC1CCCc2ccccc21 | 10.1021/jm950372w | ||
| 44280414 | 101376 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 708 | 13 | 4 | 5 | 5.9 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL30061 | 101376 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 708 | 13 | 4 | 5 | 5.9 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1cccc2ccccc12 | 10.1021/jm950372w | ||
| 44280407 | 119193 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 658 | 12 | 3 | 5 | 4.7 | CN(Cc1ccccc1)C(=O)[C@@H](CC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL34743 | 119193 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 658 | 12 | 3 | 5 | 4.7 | CN(Cc1ccccc1)C(=O)[C@@H](CC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280380 | 99366 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 553 | 11 | 3 | 4 | 4.8 | CCCCC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL285657 | 99366 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 553 | 11 | 3 | 4 | 4.8 | CCCCC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 44280101 | 99119 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 573 | 9 | 3 | 4 | 5.3 | O=C(O)Cc1cccc(NC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)c1 | 10.1021/jm950372w | ||
| CHEMBL283920 | 99119 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 573 | 9 | 3 | 4 | 5.3 | O=C(O)Cc1cccc(NC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)c1 | 10.1021/jm950372w | ||
| 44279985 | 102616 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 511 | 8 | 3 | 4 | 3.6 | CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30764 | 102616 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 511 | 8 | 3 | 4 | 3.6 | CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 887 | 4035 | 24 | None | 1 | 3 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm051219x | ||
| 9870520 | 4035 | 24 | None | 1 | 3 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm051219x | ||
| CHEMBL324547 | 4035 | 24 | None | 1 | 3 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm051219x | ||
| DB12355 | 4035 | 24 | None | 1 | 3 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm051219x | ||
| 887 | 4035 | 24 | None | 1 | 3 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm070139l | ||
| 9870520 | 4035 | 24 | None | 1 | 3 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm070139l | ||
| CHEMBL324547 | 4035 | 24 | None | 1 | 3 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm070139l | ||
| DB12355 | 4035 | 24 | None | 1 | 3 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm070139l | ||
| 11498528 | 72116 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 503 | 7 | 3 | 4 | 6.1 | O=C(O)c1cccc(NC(=O)c2[nH]c(C34CCC(CC3)CC4)nc2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL198933 | 72116 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 503 | 7 | 3 | 4 | 6.1 | O=C(O)c1cccc(NC(=O)c2[nH]c(C34CCC(CC3)CC4)nc2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 16732163 | 141520 | 0 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 544 | 9 | 2 | 5 | 5.2 | O=C(O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| CHEMBL387948 | 141520 | 0 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 544 | 9 | 2 | 5 | 5.2 | O=C(O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| 16732164 | 142759 | 0 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 571 | 8 | 2 | 6 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3ccn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL389711 | 142759 | 0 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 571 | 8 | 2 | 6 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3ccn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 9832467 | 143749 | 0 | None | - | 1 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 477 | 7 | 3 | 4 | 5.9 | O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL390519 | 143749 | 0 | None | - | 1 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 477 | 7 | 3 | 4 | 5.9 | O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 9832467 | 143749 | 0 | None | - | 1 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 477 | 7 | 3 | 4 | 5.9 | O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm070139l | ||
| CHEMBL390519 | 143749 | 0 | None | - | 1 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 477 | 7 | 3 | 4 | 5.9 | O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm070139l | ||
| 11555184 | 165468 | 0 | None | - | 1 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 503 | 7 | 3 | 3 | 7.0 | Cc1ccc(NC(=O)c2[nH]c(C3(C)CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm0490686 | ||
| CHEMBL425574 | 165468 | 0 | None | - | 1 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 503 | 7 | 3 | 3 | 7.0 | Cc1ccc(NC(=O)c2[nH]c(C3(C)CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm0490686 | ||
| 11527738 | 75621 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL205455 | 75621 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 11527738 | 75621 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL205455 | 75621 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 16733466 | 85078 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 558 | 10 | 2 | 5 | 5.6 | O=C(O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| CHEMBL227330 | 85078 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 558 | 10 | 2 | 5 | 5.6 | O=C(O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| 11605814 | 75062 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 503 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL204154 | 75062 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 503 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 16733469 | 85079 | 0 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 576 | 10 | 2 | 6 | 5.8 | O=C(O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| CHEMBL227333 | 85079 | 0 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 576 | 10 | 2 | 6 | 5.8 | O=C(O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| 11571142 | 135270 | 0 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 489 | 7 | 3 | 3 | 6.7 | CC1(c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)CCCCC1 | 10.1021/jm0490686 | ||
| CHEMBL373050 | 135270 | 0 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 489 | 7 | 3 | 3 | 6.7 | CC1(c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)CCCCC1 | 10.1021/jm0490686 | ||
| 135423404 | 85073 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 570 | 8 | 2 | 7 | 5.0 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(-c2noc(=O)[nH]2)c1 | 10.1021/jm070139l | ||
| CHEMBL227276 | 85073 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 570 | 8 | 2 | 7 | 5.0 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(-c2noc(=O)[nH]2)c1 | 10.1021/jm070139l | ||
| 16731872 | 85010 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 5.3 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1021/jm070139l | ||
| CHEMBL226620 | 85010 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 5.3 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1021/jm070139l | ||
| 11679213 | 133007 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 497 | 7 | 3 | 3 | 6.8 | Cc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| CHEMBL370882 | 133007 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 497 | 7 | 3 | 3 | 6.8 | Cc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| 11568611 | 71620 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 449 | 6 | 3 | 3 | 5.8 | CC(C)(C)c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL197370 | 71620 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 449 | 6 | 3 | 3 | 5.8 | CC(C)(C)c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 11571166 | 140770 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 497 | 7 | 3 | 3 | 6.8 | Cc1cccc(C)c1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL383386 | 140770 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 497 | 7 | 3 | 3 | 6.8 | Cc1cccc(C)c1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 11592162 | 76161 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 561 | 11 | 2 | 6 | 5.9 | CCOCCNc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL206079 | 76161 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 561 | 11 | 2 | 6 | 5.9 | CCOCCNc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 11699148 | 75613 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 511 | 7 | 2 | 6 | 3.4 | CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL205423 | 75613 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 511 | 7 | 2 | 6 | 3.4 | CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1021/jm051219x | ||
| 11584903 | 140195 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 560 | 10 | 2 | 6 | 5.1 | CNCCN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL381805 | 140195 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 560 | 10 | 2 | 6 | 5.1 | CNCCN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 11505466 | 71671 | 0 | None | - | 0 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 425 | 7 | 3 | 3 | 5.1 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCc2ccccc2)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL197578 | 71671 | 0 | None | - | 0 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 425 | 7 | 3 | 3 | 5.1 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCc2ccccc2)[nH]1 | 10.1021/jm0490686 | ||
| 44451547 | 96251 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 587 | 8 | 2 | 8 | 4.7 | CN(c1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1)c1nn[nH]n1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL264150 | 96251 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 587 | 8 | 2 | 8 | 4.7 | CN(c1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1)c1nn[nH]n1 | 10.1016/j.bmc.2007.12.047 | ||
| 11613212 | 71742 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 513 | 7 | 3 | 4 | 6.4 | Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(COC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| CHEMBL197780 | 71742 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 513 | 7 | 3 | 4 | 6.4 | Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(COC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| 11663308 | 76377 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 497 | 7 | 2 | 5 | 5.0 | CNc1cccc(NC(=O)CN2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL206709 | 76377 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 497 | 7 | 2 | 5 | 5.0 | CNc1cccc(NC(=O)CN2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 11613982 | 139882 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 543 | 7 | 1 | 5 | 6.1 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N3CCCC3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL380907 | 139882 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 543 | 7 | 1 | 5 | 6.1 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N3CCCC3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 11567687 | 135401 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 407 | 6 | 3 | 3 | 4.8 | Cc1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL373125 | 135401 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 407 | 6 | 3 | 3 | 4.8 | Cc1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 11656338 | 75577 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 504 | 7 | 2 | 5 | 5.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CO)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL205198 | 75577 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 504 | 7 | 2 | 5 | 5.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CO)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 11628273 | 139591 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 559 | 7 | 1 | 6 | 5.3 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N3CCOCC3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL380193 | 139591 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 559 | 7 | 1 | 6 | 5.3 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N3CCOCC3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 44451920 | 95667 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 519 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL260394 | 95667 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 519 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| 11495719 | 70015 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 431 | 7 | 3 | 3 | 5.8 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC2CCCCC2)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL194514 | 70015 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 431 | 7 | 3 | 3 | 5.8 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC2CCCCC2)[nH]1 | 10.1021/jm0490686 | ||
| 44451877 | 95522 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 587 | 7 | 1 | 6 | 6.9 | Cc1nc(-c2cccc(NC(=O)CN3C(=O)N(CC(=O)C(C)(C)C)c4ccccc4N(C4CCCCC4)C3=O)c2)cs1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL259557 | 95522 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 587 | 7 | 1 | 6 | 6.9 | Cc1nc(-c2cccc(NC(=O)CN3C(=O)N(CC(=O)C(C)(C)C)c4ccccc4N(C4CCCCC4)C3=O)c2)cs1 | 10.1016/j.bmc.2007.12.047 | ||
| 11513177 | 72169 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 501 | 7 | 3 | 3 | 6.7 | O=C(O)c1cccc(NC(=O)c2[nH]c(C34CCC(CC3)CC4)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL199091 | 72169 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 501 | 7 | 3 | 3 | 6.7 | O=C(O)c1cccc(NC(=O)c2[nH]c(C34CCC(CC3)CC4)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 16732911 | 142672 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 564 | 9 | 2 | 6 | 5.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL389639 | 142672 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 564 | 9 | 2 | 6 | 5.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 11539356 | 71321 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 435 | 7 | 3 | 3 | 5.6 | CC(C)c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL196441 | 71321 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 435 | 7 | 3 | 3 | 5.6 | CC(C)c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 11705988 | 165788 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 498 | 7 | 2 | 6 | 4.4 | CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL427387 | 165788 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 498 | 7 | 2 | 6 | 4.4 | CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 16732020 | 85071 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 571 | 8 | 2 | 8 | 4.7 | CN(c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1)c1nn[nH]n1 | 10.1021/jm070139l | ||
| CHEMBL227254 | 85071 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 571 | 8 | 2 | 8 | 4.7 | CN(c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1)c1nn[nH]n1 | 10.1021/jm070139l | ||
| 11612498 | 133026 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 469 | 7 | 3 | 3 | 6.2 | O=C(O)c1cccc(NC(=O)c2[nH]c(-c3ccccc3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL371068 | 133026 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 469 | 7 | 3 | 3 | 6.2 | O=C(O)c1cccc(NC(=O)c2[nH]c(-c3ccccc3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 11685703 | 71561 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 391 | 7 | 3 | 3 | 4.9 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC(C)C)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL197205 | 71561 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 391 | 7 | 3 | 3 | 4.9 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC(C)C)[nH]1 | 10.1021/jm0490686 | ||
| 44451622 | 95457 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 562 | 9 | 2 | 5 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CCC(=O)O)c2)C(=O)N(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL259276 | 95457 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 562 | 9 | 2 | 5 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CCC(=O)O)c2)C(=O)N(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| 11712880 | 138381 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 490 | 6 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL378388 | 138381 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 490 | 6 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 11511721 | 75734 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 502 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)C[C@@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL205751 | 75734 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 502 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)C[C@@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 11555166 | 139287 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 502 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)C[C@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL379902 | 139287 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 502 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)C[C@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 5311201 | 205653 | 30 | None | -7 | 7 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL9387 | 205653 | 30 | None | -7 | 7 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm051219x | ||
| 135529065 | 156461 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 588 | 7 | 2 | 7 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL407340 | 156461 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 588 | 7 | 2 | 7 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| 11497371 | 70271 | 0 | None | - | 1 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 525 | 7 | 3 | 3 | 7.4 | Cc1cc(C)c(-c2nc(C(=O)Nc3ccc(C)c(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| CHEMBL195007 | 70271 | 0 | None | - | 1 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 525 | 7 | 3 | 3 | 7.4 | Cc1cc(C)c(-c2nc(C(=O)Nc3ccc(C)c(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| 11605694 | 168077 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 497 | 7 | 3 | 3 | 6.8 | Cc1ccc(NC(=O)c2[nH]c(-c3ccccc3C)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm0490686 | ||
| CHEMBL436314 | 168077 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 497 | 7 | 3 | 3 | 6.8 | Cc1ccc(NC(=O)c2[nH]c(-c3ccccc3C)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm0490686 | ||
| 11576771 | 74067 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 489 | 6 | 2 | 5 | 5.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL202680 | 74067 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 489 | 6 | 2 | 5 | 5.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 44451581 | 95368 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 594 | 9 | 2 | 6 | 6.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCC(=O)O)c2)C(=O)N(C2CCCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL258863 | 95368 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 594 | 9 | 2 | 6 | 6.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCC(=O)O)c2)C(=O)N(C2CCCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| 16731874 | 85019 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 546 | 9 | 2 | 5 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226675 | 85019 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 546 | 9 | 2 | 5 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 11540160 | 71089 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 475 | 7 | 3 | 3 | 6.6 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL196133 | 71089 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 475 | 7 | 3 | 3 | 6.6 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 44451843 | 158880 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 562 | 8 | 2 | 5 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CC(=O)O)c2)C(=O)N(C2CCCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL410114 | 158880 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 562 | 8 | 2 | 5 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CC(=O)O)c2)C(=O)N(C2CCCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| 136036823 | 155125 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 574 | 7 | 2 | 7 | 4.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL404967 | 155125 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 574 | 7 | 2 | 7 | 4.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| 11571140 | 71342 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 489 | 7 | 3 | 3 | 6.9 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL196517 | 71342 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 489 | 7 | 3 | 3 | 6.9 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 11512112 | 75226 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 532 | 8 | 2 | 6 | 4.9 | CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL204683 | 75226 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 532 | 8 | 2 | 6 | 4.9 | CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | 10.1021/jm051219x | ||
| 11643045 | 71779 | 0 | None | - | 0 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 511 | 9 | 3 | 3 | 6.8 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(CCC(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL197873 | 71779 | 0 | None | - | 0 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 511 | 9 | 3 | 3 | 6.8 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(CCC(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 11698512 | 167681 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 435 | 8 | 3 | 3 | 5.5 | CCCc1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL433776 | 167681 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 435 | 8 | 3 | 3 | 5.5 | CCCc1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 11542079 | 71363 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 483 | 7 | 3 | 3 | 6.5 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL196580 | 71363 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 483 | 7 | 3 | 3 | 6.5 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 11518283 | 165596 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 461 | 7 | 3 | 3 | 6.2 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL426290 | 165596 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 461 | 7 | 3 | 3 | 6.2 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 16732753 | 143442 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 552 | 8 | 2 | 5 | 5.7 | Cc1ccccc1C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL390276 | 143442 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 552 | 8 | 2 | 5 | 5.7 | Cc1ccccc1C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 16732019 | 84995 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 542 | 7 | 2 | 7 | 4.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226533 | 84995 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 542 | 7 | 2 | 7 | 4.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 11541870 | 71092 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 433 | 7 | 3 | 3 | 5.4 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL196141 | 71092 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 433 | 7 | 3 | 3 | 5.4 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 44451523 | 95484 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 541 | 7 | 2 | 5 | 4.1 | O=C(CN1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(c2ccccc2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL259390 | 95484 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 541 | 7 | 2 | 5 | 4.1 | O=C(CN1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(c2ccccc2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| 443375 | 205862 | 40 | None | -4466 | 6 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL9506 | 205862 | 40 | None | -4466 | 6 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm051219x | ||
| 11505870 | 72147 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 526 | 8 | 3 | 4 | 6.6 | Cc1ccccc1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c(C(=O)Nc2ccc(N(C)C)c(C(=O)O)c2)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL199032 | 72147 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 526 | 8 | 3 | 4 | 6.6 | Cc1ccccc1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c(C(=O)Nc2ccc(N(C)C)c(C(=O)O)c2)[nH]1 | 10.1021/jm0490686 | ||
| 11613179 | 71429 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 511 | 7 | 3 | 3 | 7.1 | Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| CHEMBL196745 | 71429 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 511 | 7 | 3 | 3 | 7.1 | Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| 11511706 | 71902 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 501 | 7 | 3 | 3 | 6.6 | Cc1ccccc1-c1nc(C(=O)Nc2ccc(F)c(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL198225 | 71902 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 501 | 7 | 3 | 3 | 6.6 | Cc1ccccc1-c1nc(C(=O)Nc2ccc(F)c(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 136036821 | 95351 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 602 | 9 | 2 | 7 | 5.6 | CC(C)(C)C(=O)CN1C(=O)N(CCCC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL258782 | 95351 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 602 | 9 | 2 | 7 | 5.6 | CC(C)(C)C(=O)CN1C(=O)N(CCCC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| 11642370 | 139628 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 540 | 7 | 1 | 6 | 5.7 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-n3ccnc3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL380363 | 139628 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 540 | 7 | 1 | 6 | 5.7 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-n3ccnc3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 135610887 | 85003 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 558 | 7 | 2 | 7 | 4.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226583 | 85003 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 558 | 7 | 2 | 7 | 4.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 16732909 | 85018 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 532 | 8 | 2 | 5 | 5.1 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226673 | 85018 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 532 | 8 | 2 | 5 | 5.1 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 11663565 | 75828 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 517 | 7 | 1 | 5 | 5.5 | CN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL205831 | 75828 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 517 | 7 | 1 | 5 | 5.5 | CN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 9832467 | 143749 | 0 | None | - | 1 | Dog | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 477 | 7 | 3 | 4 | 5.9 | O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm070139l | ||
| CHEMBL390519 | 143749 | 0 | None | - | 1 | Dog | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 477 | 7 | 3 | 4 | 5.9 | O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm070139l | ||
| 11527738 | 75621 | 0 | None | - | 0 | Dog | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL205455 | 75621 | 0 | None | - | 0 | Dog | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL2370598 | 208123 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||||
| 16732164 | 142759 | 0 | None | - | 0 | Dog | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 571 | 8 | 2 | 6 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3ccn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL389711 | 142759 | 0 | None | - | 0 | Dog | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 571 | 8 | 2 | 6 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3ccn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 16732753 | 143442 | 0 | None | - | 0 | Dog | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 552 | 8 | 2 | 5 | 5.7 | Cc1ccccc1C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL390276 | 143442 | 0 | None | - | 0 | Dog | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 552 | 8 | 2 | 5 | 5.7 | Cc1ccccc1C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 16732019 | 84995 | 0 | None | - | 0 | Dog | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 542 | 7 | 2 | 7 | 4.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226533 | 84995 | 0 | None | - | 0 | Dog | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 542 | 7 | 2 | 7 | 4.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 16733466 | 85078 | 0 | None | - | 0 | Dog | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 558 | 10 | 2 | 5 | 5.6 | O=C(O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| CHEMBL227330 | 85078 | 0 | None | - | 0 | Dog | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 558 | 10 | 2 | 5 | 5.6 | O=C(O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| 135610887 | 85003 | 0 | None | - | 0 | Dog | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 558 | 7 | 2 | 7 | 4.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226583 | 85003 | 0 | None | - | 0 | Dog | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 558 | 7 | 2 | 7 | 4.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 135423404 | 85073 | 0 | None | - | 0 | Dog | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 570 | 8 | 2 | 7 | 5.0 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(-c2noc(=O)[nH]2)c1 | 10.1021/jm070139l | ||
| CHEMBL227276 | 85073 | 0 | None | - | 0 | Dog | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 570 | 8 | 2 | 7 | 5.0 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(-c2noc(=O)[nH]2)c1 | 10.1021/jm070139l | ||
| 16732020 | 85071 | 0 | None | - | 0 | Dog | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 571 | 8 | 2 | 8 | 4.7 | CN(c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1)c1nn[nH]n1 | 10.1021/jm070139l | ||
| CHEMBL227254 | 85071 | 0 | None | - | 0 | Dog | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 571 | 8 | 2 | 8 | 4.7 | CN(c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1)c1nn[nH]n1 | 10.1021/jm070139l | ||
| 16733469 | 85079 | 0 | None | - | 0 | Dog | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 576 | 10 | 2 | 6 | 5.8 | O=C(O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| CHEMBL227333 | 85079 | 0 | None | - | 0 | Dog | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 576 | 10 | 2 | 6 | 5.8 | O=C(O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| 16732909 | 85018 | 0 | None | - | 0 | Dog | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 532 | 8 | 2 | 5 | 5.1 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226673 | 85018 | 0 | None | - | 0 | Dog | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 532 | 8 | 2 | 5 | 5.1 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 16732911 | 142672 | 0 | None | - | 0 | Dog | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 564 | 9 | 2 | 6 | 5.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL389639 | 142672 | 0 | None | - | 0 | Dog | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 564 | 9 | 2 | 6 | 5.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 16732163 | 141520 | 0 | None | - | 0 | Dog | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 544 | 9 | 2 | 5 | 5.2 | O=C(O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| CHEMBL387948 | 141520 | 0 | None | - | 0 | Dog | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 544 | 9 | 2 | 5 | 5.2 | O=C(O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| 16731872 | 85010 | 0 | None | - | 0 | Dog | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 5.3 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1021/jm070139l | ||
| CHEMBL226620 | 85010 | 0 | None | - | 0 | Dog | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 5.3 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1021/jm070139l | ||
| 5489450 | 204 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | None | None | None | None | 8914862 | ||||
| 894 | 204 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | None | None | None | None | 8914862 | ||||
| 4329839 | 804 | 0 | None | 158 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 8349705 | ||||
| 861 | 804 | 0 | None | 158 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 8349705 | ||||
| 2802894 | 2361 | 30 | None | -1 | 3 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@H]([C@@H]1c1ccccc1)c1ccccc1 | 21228869 | ||
| 3509 | 2361 | 30 | None | -1 | 3 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@H]([C@@H]1c1ccccc1)c1ccccc1 | 21228869 | ||
| CHEMBL333081 | 2361 | 30 | None | -1 | 3 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@H]([C@@H]1c1ccccc1)c1ccccc1 | 21228869 | ||
| 3523 | 3317 | 0 | None | - | 1 | Rat | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 554 | 11 | 3 | 6 | 2.9 | COc1cccc(c1)N(C(=O)CNC(=O)Nc1cccc(c1)CCS(=O)(=O)O)CC(=O)N(c1ccccc1)C | 10385255 | ||
| 5311414 | 3317 | 0 | None | - | 1 | Rat | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 554 | 11 | 3 | 6 | 2.9 | COc1cccc(c1)N(C(=O)CNC(=O)Nc1cccc(c1)CCS(=O)(=O)O)CC(=O)N(c1ccccc1)C | 10385255 | ||
| 16168172 | 1732 | 0 | None | 158 | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 1975695 | ||||
| 3559 | 1732 | 0 | None | 158 | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 1975695 | ||||
| 104929 | 2180 | 8 | None | -1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 7681836 | ||
| 3477 | 2180 | 8 | None | -1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 7681836 | ||
| 879 | 2180 | 8 | None | -1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 7681836 | ||
| CHEMBL289498 | 2180 | 8 | None | -1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 7681836 | ||
| 3084441 | 1362 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 7681836 | ||||
| 3725 | 1362 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 7681836 | ||||
| 11307323 | 2098 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 546 | 6 | 2 | 5 | 5.0 | Brc1ccc(c(c1)NS(=O)(=O)c1cccc2c1nccn2)C(=O)N[C@@H](c1ccc(cc1F)F)C | 21493750 | ||
| 6665 | 2098 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 546 | 6 | 2 | 5 | 5.0 | Brc1ccc(c(c1)NS(=O)(=O)c1cccc2c1nccn2)C(=O)N[C@@H](c1ccc(cc1F)F)C | 21493750 | ||
| 3948 | 2948 | 0 | None | - | 1 | Rat | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 8720482 | ||||
| 5491702 | 2948 | 0 | None | - | 1 | Rat | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 8720482 | ||||
| 444007 | 2982 | 0 | None | 794 | 2 | Mouse | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 1975695 | ||||
| 870 | 2982 | 0 | None | 794 | 2 | Mouse | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 1975695 | ||||
| DB00183 | 2982 | 0 | None | 794 | 2 | Mouse | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 1975695 | ||||
| 132980 | 2200 | 8 | None | 6456 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 | 11738246 | ||
| 881 | 2200 | 8 | None | 6456 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 | 11738246 | ||
| CHEMBL420783 | 2200 | 8 | None | 6456 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 | 11738246 | ||
| 122130 | 4039 | 33 | None | -5 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2 | 11738246 | ||
| 888 | 4039 | 33 | None | -5 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2 | 11738246 | ||
| CHEMBL115121 | 4039 | 33 | None | -5 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2 | 11738246 | ||
| 3503 | 1854 | 8 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | Guide to Pharmacology | 534 | 5 | 2 | 3 | 6.1 | O=C(N[C@H]1C(=O)N(c2ccccc2)c2c(N(C1=O)CC13CC4CC(C3)CC(C1)C4)cccc2)Nc1ccccc1 | 11020274 | ||
| 5311147 | 1854 | 8 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | Guide to Pharmacology | 534 | 5 | 2 | 3 | 6.1 | O=C(N[C@H]1C(=O)N(c2ccccc2)c2c(N(C1=O)CC13CC4CC(C3)CC(C1)C4)cccc2)Nc1ccccc1 | 11020274 | ||
| CHEMBL329305 | 1854 | 8 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | Guide to Pharmacology | 534 | 5 | 2 | 3 | 6.1 | O=C(N[C@H]1C(=O)N(c2ccccc2)c2c(N(C1=O)CC13CC4CC(C3)CC(C1)C4)cccc2)Nc1ccccc1 | 11020274 | ||
| 862 | 805 | 0 | None | 1 | 2 | Mouse | 9.5 | pIC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 12370550 | ||||
| 887 | 4035 | 24 | None | -1 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 22607579 | ||
| 887 | 4035 | 24 | None | -1 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 9042983 | ||
| 9870520 | 4035 | 24 | None | -1 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 22607579 | ||
| 9870520 | 4035 | 24 | None | -1 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 9042983 | ||
| CHEMBL324547 | 4035 | 24 | None | -1 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 22607579 | ||
| CHEMBL324547 | 4035 | 24 | None | -1 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 9042983 | ||
| DB12355 | 4035 | 24 | None | -1 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 22607579 | ||
| DB12355 | 4035 | 24 | None | -1 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 9042983 | ||
| 44457632 | 2966 | 0 | None | - | 1 | Mouse | 10.1 | pIC50 | None | 10.1 | Functional | Guide to Pharmacology | 575 | 10 | 4 | 4 | 5.4 | OC(=O)CC(NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccc(cc1)F | 8931944 | ||
| 905 | 2966 | 0 | None | - | 1 | Mouse | 10.1 | pIC50 | None | 10.1 | Functional | Guide to Pharmacology | 575 | 10 | 4 | 4 | 5.4 | OC(=O)CC(NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccc(cc1)F | 8931944 | ||
| 3960 | 2303 | 20 | None | -131 | 4 | Human | 5.5 | pIC50 | None | 5.5 | Functional | Guide to Pharmacology | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC | 8914862 | ||
| 891 | 2303 | 20 | None | -131 | 4 | Human | 5.5 | pIC50 | None | 5.5 | Functional | Guide to Pharmacology | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC | 8914862 | ||
| CHEMBL24938 | 2303 | 20 | None | -131 | 4 | Human | 5.5 | pIC50 | None | 5.5 | Functional | Guide to Pharmacology | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC | 8914862 | ||
| 5311148 | 1857 | 5 | None | -41 | 2 | Human | 6.0 | pIC50 | None | 6 | Functional | Guide to Pharmacology | 587 | 8 | 1 | 5 | 5.9 | COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C | 9276016 | ||
| 865 | 1857 | 5 | None | -41 | 2 | Human | 6.0 | pIC50 | None | 6 | Functional | Guide to Pharmacology | 587 | 8 | 1 | 5 | 5.9 | COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C | 9276016 | ||
| CHEMBL293226 | 1857 | 5 | None | -41 | 2 | Human | 6.0 | pIC50 | None | 6 | Functional | Guide to Pharmacology | 587 | 8 | 1 | 5 | 5.9 | COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C | 9276016 | ||
| 904 | 2965 | 7 | None | -44 | 3 | Rat | 6.6 | pIC50 | None | 6.6 | Functional | Guide to Pharmacology | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 7684452 | ||
| 9915756 | 2965 | 7 | None | -44 | 3 | Rat | 6.6 | pIC50 | None | 6.6 | Functional | Guide to Pharmacology | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 7684452 | ||
| CHEMBL2111204 | 2965 | 7 | None | -44 | 3 | Rat | 6.6 | pIC50 | None | 6.6 | Functional | Guide to Pharmacology | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 7684452 | ||
| CHEMBL356898 | 2965 | 7 | None | -44 | 3 | Rat | 6.6 | pIC50 | None | 6.6 | Functional | Guide to Pharmacology | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 7684452 | ||
| 54695534 | 3718 | 4 | None | -54 | 2 | Human | 6.7 | pIC50 | None | 6.7 | Functional | Guide to Pharmacology | 570 | 2 | 3 | 8 | 4.5 | OC1C/C=C/CC(C)C2C(SCC2C(=O)C2=C(OC3(C(C/C=C/C=C/C1)C=C(C)C(C3)C)C2=O)O)C(=O)C(=O)O | 8233061 | ||
| 910 | 3718 | 4 | None | -54 | 2 | Human | 6.7 | pIC50 | None | 6.7 | Functional | Guide to Pharmacology | 570 | 2 | 3 | 8 | 4.5 | OC1C/C=C/CC(C)C2C(SCC2C(=O)C2=C(OC3(C(C/C=C/C=C/C1)C=C(C)C(C3)C)C2=O)O)C(=O)C(=O)O | 8233061 | ||
| CHEMBL3576924 | 3718 | 4 | None | -54 | 2 | Human | 6.7 | pIC50 | None | 6.7 | Functional | Guide to Pharmacology | 570 | 2 | 3 | 8 | 4.5 | OC1C/C=C/CC(C)C2C(SCC2C(=O)C2=C(OC3(C(C/C=C/C=C/C1)C=C(C)C(C3)C)C2=O)O)C(=O)C(=O)O | 8233061 | ||
| 3476 | 1368 | 8 | None | -870 | 2 | Human | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 7681836 | ||
| 59751 | 1368 | 8 | None | -870 | 2 | Human | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 7681836 | ||
| 878 | 1368 | 8 | None | -870 | 2 | Human | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 7681836 | ||
| CHEMBL39263 | 1368 | 8 | None | -870 | 2 | Human | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 7681836 | ||
| 6956374 | 2363 | 4 | None | 3 | 3 | Human | 7.0 | pIC50 | None | 7 | Functional | Guide to Pharmacology | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1 | 8914862 | ||
| 902 | 2363 | 4 | None | 3 | 3 | Human | 7.0 | pIC50 | None | 7 | Functional | Guide to Pharmacology | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1 | 8914862 | ||
| CHEMBL117281 | 2363 | 4 | None | 3 | 3 | Human | 7.0 | pIC50 | None | 7 | Functional | Guide to Pharmacology | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1 | 8914862 | ||
| 898 | 2085 | 0 | None | - | 1 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 1698251 | ||||
| 3074331 | 910 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 493 | 6 | 4 | 4 | 4.6 | O=C(N[C@@](C(=O)N[C@H]1CCCC[C@@H]1O)(Cc1c[nH]c2c1cccc2)C)OC12CC3CC(C2)CC(C1)C3 | 9438020 | ||
| 872 | 910 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 493 | 6 | 4 | 4 | 4.6 | O=C(N[C@@](C(=O)N[C@H]1CCCC[C@@H]1O)(Cc1c[nH]c2c1cccc2)C)OC12CC3CC(C2)CC(C1)C3 | 9438020 | ||
| 6604121 | 2065 | 16 | None | 15848 | 2 | Rat | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 526 | 7 | 2 | 3 | 6.8 | OC(=O)C[C@H](c1cccc2c1cccc2)CC(=O)Nc1c(C)cc(cc1C(=O)N1CCC2(CC1)CCCC2)C | 10204685 | ||
| 909 | 2065 | 16 | None | 15848 | 2 | Rat | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 526 | 7 | 2 | 3 | 6.8 | OC(=O)C[C@H](c1cccc2c1cccc2)CC(=O)Nc1c(C)cc(cc1C(=O)N1CCC2(CC1)CCCC2)C | 10204685 | ||
| CHEMBL1256717 | 2065 | 16 | None | 15848 | 2 | Rat | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 526 | 7 | 2 | 3 | 6.8 | OC(=O)C[C@H](c1cccc2c1cccc2)CC(=O)Nc1c(C)cc(cc1C(=O)N1CCC2(CC1)CCCC2)C | 10204685 | ||
| 16129670 | 802 | 0 | None | - | 1 | Human | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 8349705 | ||||
| 860 | 802 | 0 | None | - | 1 | Human | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 8349705 | ||||
| 91898395 | 802 | 0 | None | - | 1 | Human | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 8349705 | ||||
| 108187 | 911 | 30 | None | -67 | 5 | Mouse | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 1975695 | ||
| 873 | 911 | 30 | None | -67 | 5 | Mouse | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 1975695 | ||
| CHEMBL2062154 | 911 | 30 | None | -67 | 5 | Mouse | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 1975695 | ||
| CHEMBL287735 | 911 | 30 | None | -67 | 5 | Mouse | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 1975695 | ||
| 122119 | 2962 | 0 | None | 1000 | 2 | Human | 8.9 | pIC50 | None | 8.9 | Functional | Guide to Pharmacology | 618 | 12 | 5 | 6 | 5.1 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](CC1CNc2c1cccc2)(NC(=O)OC1C[C@H]2C([C@]1(C)CC2)(C)C)C)CCC(=O)O | 8914862 | ||
| 882 | 2962 | 0 | None | 1000 | 2 | Human | 8.9 | pIC50 | None | 8.9 | Functional | Guide to Pharmacology | 618 | 12 | 5 | 6 | 5.1 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](CC1CNc2c1cccc2)(NC(=O)OC1C[C@H]2C([C@]1(C)CC2)(C)C)C)CCC(=O)O | 8914862 | ||
| 108187 | 911 | 30 | None | 67 | 5 | Human | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 8914862 | ||
| 873 | 911 | 30 | None | 67 | 5 | Human | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 8914862 | ||
| CHEMBL2062154 | 911 | 30 | None | 67 | 5 | Human | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 8914862 | ||
| CHEMBL287735 | 911 | 30 | None | 67 | 5 | Human | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 8914862 | ||
| 5311016 | 585 | 0 | None | - | 1 | Rat | 9.5 | pIC50 | None | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 14698161 | ||||
| 897 | 585 | 0 | None | - | 1 | Rat | 9.5 | pIC50 | None | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 14698161 | ||||
| 903 | 2963 | 6 | None | 123 | 2 | Mouse | 9.8 | pIC50 | None | 9.8 | Functional | Guide to Pharmacology | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 8605955 | ||
| 9850711 | 2963 | 6 | None | 123 | 2 | Mouse | 9.8 | pIC50 | None | 9.8 | Functional | Guide to Pharmacology | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 8605955 | ||
| CHEMBL138534 | 2963 | 6 | None | 123 | 2 | Mouse | 9.8 | pIC50 | None | 9.8 | Functional | Guide to Pharmacology | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 8605955 | ||
| CHEMBL2111312 | 2963 | 6 | None | 123 | 2 | Mouse | 9.8 | pIC50 | None | 9.8 | Functional | Guide to Pharmacology | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 8605955 | ||
| 4627 | 807 | 44 | None | -1 | 6 | Human | 10.0 | pIC50 | None | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 7681836 | ||||
| 4627 | 807 | 44 | None | -1 | 6 | Human | 10.0 | pIC50 | None | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 8349705 | ||||
| 864 | 807 | 44 | None | -1 | 6 | Human | 10.0 | pIC50 | None | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 7681836 | ||||
| 864 | 807 | 44 | None | -1 | 6 | Human | 10.0 | pIC50 | None | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 8349705 | ||||
| 9833444 | 807 | 44 | None | -1 | 6 | Human | 10.0 | pIC50 | None | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 7681836 | ||||
| 9833444 | 807 | 44 | None | -1 | 6 | Human | 10.0 | pIC50 | None | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 8349705 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 6 | Human | 10.0 | pIC50 | None | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 7681836 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 6 | Human | 10.0 | pIC50 | None | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 8349705 | ||||
| DB09142 | 807 | 44 | None | -1 | 6 | Human | 10.0 | pIC50 | None | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 7681836 | ||||
| DB09142 | 807 | 44 | None | -1 | 6 | Human | 10.0 | pIC50 | None | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 8349705 | ||||
| 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 |
| 4627 | 807 | 44 | None | -1 | 5 | Human | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00017a022 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00017a022 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00017a022 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00017a022 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00017a022 | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/np058114h | ||||
| CHEMBL413654 | 211321 | 0 | None | 2 | 2 | Rat | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm00048a016 | ||||
| 10260074 | 106128 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 875 | 25 | 7 | 10 | 3.0 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)N(Cc1ccccc1)N=NCCCl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00048a016 | ||
| CHEMBL3143010 | 106128 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 875 | 25 | 7 | 10 | 3.0 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)N(Cc1ccccc1)N=NCCCl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00048a016 | ||
| 162661486 | 180871 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 5678 | 175 | 68 | 78 | -9.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc4c[nH]cn4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C3=O)C2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00736 | ||
| CHEMBL4764500 | 180871 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 5678 | 175 | 68 | 78 | -9.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc4c[nH]cn4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C3=O)C2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00736 | ||
| 162661520 | 180937 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 5663 | 173 | 67 | 77 | -8.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC2CC(=O)N(CCC(=O)NCCCCC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CCN3C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(=O)O)NC1=O)C3=O)C2=O | 10.1021/acs.jmedchem.0c00736 | ||
| CHEMBL4765166 | 180937 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 5663 | 173 | 67 | 77 | -8.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC2CC(=O)N(CCC(=O)NCCCCC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CCN3C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(=O)O)NC1=O)C3=O)C2=O | 10.1021/acs.jmedchem.0c00736 | ||
| 10032955 | 167461 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 742 | 17 | 7 | 6 | 5.8 | Cc1ccccc1NC(=O)NCCCC[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)NC(=O)CCC(=O)O | 10.1021/jm00017a022 | ||
| CHEMBL432256 | 167461 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 742 | 17 | 7 | 6 | 5.8 | Cc1ccccc1NC(=O)NCCCC[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)NC(=O)CCC(=O)O | 10.1021/jm00017a022 | ||
| CHEMBL319438 | 209461 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00017a022 | ||||
| 162668747 | 182027 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 6123 | 176 | 72 | 84 | -13.9 | CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)CSC3CC(=O)N(CCC(=O)N1)C3=O)C2=O | 10.1021/acs.jmedchem.0c00736 | ||
| CHEMBL4788440 | 182027 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 6123 | 176 | 72 | 84 | -13.9 | CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)CSC3CC(=O)N(CCC(=O)N1)C3=O)C2=O | 10.1021/acs.jmedchem.0c00736 | ||
| 162662538 | 181432 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 5436 | 173 | 70 | 79 | -19.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00736 | ||
| CHEMBL4780789 | 181432 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 5436 | 173 | 70 | 79 | -19.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00736 | ||
| 162665647 | 181771 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 5421 | 171 | 69 | 78 | -18.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC | 10.1021/acs.jmedchem.0c00736 | ||
| CHEMBL4784851 | 181771 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 5421 | 171 | 69 | 78 | -18.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC | 10.1021/acs.jmedchem.0c00736 | ||
| 162665440 | 181668 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 5338 | 170 | 70 | 76 | -18.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00736 | ||
| CHEMBL4783736 | 181668 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 5338 | 170 | 70 | 76 | -18.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00736 | ||
| 162673451 | 182597 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 6108 | 174 | 71 | 83 | -13.0 | CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)CSC3CC(=O)N(CCC(=O)N1)C3=O)C2=O | 10.1021/acs.jmedchem.0c00736 | ||
| CHEMBL4795718 | 182597 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 6108 | 174 | 71 | 83 | -13.0 | CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)CSC3CC(=O)N(CCC(=O)N1)C3=O)C2=O | 10.1021/acs.jmedchem.0c00736 | ||
| 90663239 | 106129 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 946 | 27 | 8 | 11 | 2.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)CCC(=O)N(Cc1ccccc1)N=NCCCl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00048a016 | ||
| CHEMBL3143011 | 106129 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 946 | 27 | 8 | 11 | 2.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)CCC(=O)N(Cc1ccccc1)N=NCCCl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00048a016 | ||
| 162677145 | 182877 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 5323 | 168 | 69 | 75 | -17.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC | 10.1021/acs.jmedchem.0c00736 | ||
| CHEMBL4799182 | 182877 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 5323 | 168 | 69 | 75 | -17.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC | 10.1021/acs.jmedchem.0c00736 | ||
| 86291008 | 178962 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 4364 | 151 | 59 | 60 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00736 | ||
| CHEMBL4741697 | 178962 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 4364 | 151 | 59 | 60 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00736 | ||
| 44348922 | 16050 | 0 | None | - | 0 | Bovine | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 992 | 25 | 11 | 11 | 1.4 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCC[C@H]1NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| CHEMBL122438 | 16050 | 0 | None | - | 0 | Bovine | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 992 | 25 | 11 | 11 | 1.4 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCC[C@H]1NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| 880 | 2199 | 3 | None | - | 0 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 487 | 5 | 3 | 7 | 3.5 | O=C(N[C@@H]1N=C(C2CCCCC2)c2c(N(C1=O)C)cccc2)Nc1cccc(c1)N(c1n[nH]nn1)C | 10.1021/jm9506736 | ||
| 9935175 | 2199 | 3 | None | - | 0 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 487 | 5 | 3 | 7 | 3.5 | O=C(N[C@@H]1N=C(C2CCCCC2)c2c(N(C1=O)C)cccc2)Nc1cccc(c1)N(c1n[nH]nn1)C | 10.1021/jm9506736 | ||
| CHEMBL2093059 | 2199 | 3 | None | - | 0 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 487 | 5 | 3 | 7 | 3.5 | O=C(N[C@@H]1N=C(C2CCCCC2)c2c(N(C1=O)C)cccc2)Nc1cccc(c1)N(c1n[nH]nn1)C | 10.1021/jm9506736 | ||
| 10051431 | 120600 | 0 | None | - | 0 | Rat | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 494 | 6 | 2 | 4 | 5.1 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL357502 | 120600 | 0 | None | - | 0 | Rat | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 494 | 6 | 2 | 4 | 5.1 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 10480605 | 77942 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 487 | 5 | 4 | 7 | 3.7 | Cc1ccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)cc1Nc1nn[nH]n1 | 10.1021/jm9506736 | ||
| CHEMBL2110201 | 77942 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 487 | 5 | 4 | 7 | 3.7 | Cc1ccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)cc1Nc1nn[nH]n1 | 10.1021/jm9506736 | ||
| 9916170 | 76185 | 2 | None | - | 0 | Mouse | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 575 | 10 | 4 | 4 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)O)Cc1ccc(F)cc1 | 10.1016/s0960-894x(00)00198-0 | ||
| CHEMBL2062146 | 76185 | 2 | None | - | 0 | Mouse | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 575 | 10 | 4 | 4 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)O)Cc1ccc(F)cc1 | 10.1016/s0960-894x(00)00198-0 | ||
| 44348850 | 17751 | 0 | None | - | 0 | Bovine | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 986 | 24 | 11 | 11 | 2.0 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(S(=O)(=O)O)cc2)NC(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| CHEMBL126008 | 17751 | 0 | None | - | 0 | Bovine | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 986 | 24 | 11 | 11 | 2.0 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(S(=O)(=O)O)cc2)NC(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| 9960703 | 167464 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 621 | 6 | 3 | 7 | 4.0 | O=C(Nc1cccc(-c2nn[nH]n2)c1)NC1N=C(c2ccccc2F)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O | 10.1016/s0960-894x(98)00237-6 | ||
| CHEMBL432266 | 167464 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 621 | 6 | 3 | 7 | 4.0 | O=C(Nc1cccc(-c2nn[nH]n2)c1)NC1N=C(c2ccccc2F)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O | 10.1016/s0960-894x(98)00237-6 | ||
| 9872735 | 186434 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 567 | 5 | 2 | 4 | 5.1 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3ccccc3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL49085 | 186434 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 567 | 5 | 2 | 4 | 5.1 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3ccccc3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 | 10.1016/S0960-894X(96)00609-9 | ||
| 155559320 | 174282 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 1872 | 72 | 18 | 23 | 3.8 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4563364 | 174282 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 1872 | 72 | 18 | 23 | 3.8 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 21842340 | 43825 | 0 | None | - | 0 | Rat | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 5.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL151483 | 43825 | 0 | None | - | 0 | Rat | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 5.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 132980 | 2200 | 8 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 | 10.1021/jm00032a002 | ||
| 881 | 2200 | 8 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 | 10.1021/jm00032a002 | ||
| CHEMBL420783 | 2200 | 8 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 | 10.1021/jm00032a002 | ||
| 9828961 | 167412 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 548 | 6 | 4 | 4 | 5.2 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)O)c1)C[C@@H]2C1CCCCC1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL431919 | 167412 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 548 | 6 | 4 | 4 | 5.2 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)O)c1)C[C@@H]2C1CCCCC1 | 10.1016/0960-894X(95)00327-P | ||
| 132980 | 2200 | 8 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 | 10.1016/0960-894X(95)00530-0 | ||
| 881 | 2200 | 8 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL420783 | 2200 | 8 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 | 10.1016/0960-894X(95)00530-0 | ||
| 21842392 | 166144 | 14 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1039/C7MD00171A | ||
| CHEMBL4282712 | 166144 | 14 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1039/C7MD00171A | ||
| 132980 | 2200 | 8 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 | 10.1021/jm9608523 | ||
| 881 | 2200 | 8 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 | 10.1021/jm9608523 | ||
| CHEMBL420783 | 2200 | 8 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 | 10.1021/jm9608523 | ||
| 887 | 4035 | 24 | None | 1 | 4 | Rat | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm960669+ | ||
| 9870520 | 4035 | 24 | None | 1 | 4 | Rat | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm960669+ | ||
| CHEMBL324547 | 4035 | 24 | None | 1 | 4 | Rat | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm960669+ | ||
| DB12355 | 4035 | 24 | None | 1 | 4 | Rat | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm960669+ | ||
| 122130 | 4039 | 33 | None | - | 1 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2 | 10.1016/0960-894X(95)00556-9 | ||
| 888 | 4039 | 33 | None | - | 1 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL115121 | 4039 | 33 | None | - | 1 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2 | 10.1016/0960-894X(95)00556-9 | ||
| 3452843 | 119007 | 13 | None | - | 10 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL345686 | 119007 | 13 | None | - | 10 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 10323431 | 57432 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 493 | 4 | 3 | 7 | 2.9 | CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)N(c2nn[nH]n2)CC3)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm9506736 | ||
| CHEMBL166941 | 57432 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 493 | 4 | 3 | 7 | 2.9 | CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)N(c2nn[nH]n2)CC3)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm9506736 | ||
| 122130 | 4039 | 33 | None | - | 1 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2 | 10.1021/jm960669+ | ||
| 888 | 4039 | 33 | None | - | 1 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2 | 10.1021/jm960669+ | ||
| CHEMBL115121 | 4039 | 33 | None | - | 1 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2 | 10.1021/jm960669+ | ||
| 24039375 | 9779 | 0 | None | - | 0 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 540 | 8 | 2 | 6 | 4.9 | CCN(CC)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| CHEMBL114277 | 9779 | 0 | None | - | 0 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 540 | 8 | 2 | 6 | 4.9 | CCN(CC)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| 9850184 | 110369 | 0 | None | - | 0 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 538 | 6 | 2 | 6 | 4.6 | CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(N3CCCC3)c2)N=C(c2ccccn2)c2ccccc21 | 10.1021/jm960669+ | ||
| CHEMBL326102 | 110369 | 0 | None | - | 0 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 538 | 6 | 2 | 6 | 4.6 | CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(N3CCCC3)c2)N=C(c2ccccn2)c2ccccc21 | 10.1021/jm960669+ | ||
| 23844129 | 112987 | 0 | None | - | 0 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 497 | 6 | 3 | 5 | 4.7 | CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| CHEMBL332024 | 112987 | 0 | None | - | 0 | Rat | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 497 | 6 | 3 | 5 | 4.7 | CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| 21842325 | 119604 | 0 | None | - | 0 | Rat | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 495 | 6 | 2 | 5 | 4.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL351144 | 119604 | 0 | None | - | 0 | Rat | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 495 | 6 | 2 | 5 | 4.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 10006792 | 44656 | 0 | None | - | 0 | Rat | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 517 | 6 | 2 | 5 | 4.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL152306 | 44656 | 0 | None | - | 0 | Rat | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 517 | 6 | 2 | 5 | 4.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 155543846 | 172631 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 1838 | 72 | 19 | 24 | 2.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4522865 | 172631 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 1838 | 72 | 19 | 24 | 2.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 155546692 | 173060 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 1861 | 72 | 19 | 23 | 3.2 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4534236 | 173060 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 1861 | 72 | 19 | 23 | 3.2 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 108187 | 911 | 30 | None | -4 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00017a022 | ||
| 873 | 911 | 30 | None | -4 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00017a022 | ||
| CHEMBL2062154 | 911 | 30 | None | -4 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00017a022 | ||
| CHEMBL287735 | 911 | 30 | None | -4 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00017a022 | ||
| 23757281 | 9743 | 0 | None | - | 0 | Rat | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 539 | 8 | 2 | 5 | 5.5 | CCN(CC)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| CHEMBL114072 | 9743 | 0 | None | - | 0 | Rat | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 539 | 8 | 2 | 5 | 5.5 | CCN(CC)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| 44376113 | 119443 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 494 | 6 | 3 | 6 | 3.9 | CC(C)CN1C(=O)[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| CHEMBL349730 | 119443 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 494 | 6 | 3 | 6 | 3.9 | CC(C)CN1C(=O)[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| 903 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(00)80273-5 | ||
| 9850711 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(00)80273-5 | ||
| CHEMBL138534 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(00)80273-5 | ||
| CHEMBL2111312 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(00)80273-5 | ||
| 903 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm000937a | ||
| 9850711 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm000937a | ||
| CHEMBL138534 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm000937a | ||
| CHEMBL2111312 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm000937a | ||
| 904 | 2965 | 7 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| 9915756 | 2965 | 7 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL2111204 | 2965 | 7 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL356898 | 2965 | 7 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| 903 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 9850711 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL138534 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL2111312 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 903 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm970065l | ||
| 9850711 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm970065l | ||
| CHEMBL138534 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm970065l | ||
| CHEMBL2111312 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm970065l | ||
| 155558199 | 174187 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 1894 | 75 | 19 | 24 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4561184 | 174187 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 1894 | 75 | 19 | 24 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 155533399 | 171269 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 1838 | 72 | 19 | 24 | 1.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4468861 | 171269 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 1838 | 72 | 19 | 24 | 1.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 10744359 | 10047 | 0 | None | - | 0 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.5 | CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm960669+ | ||
| CHEMBL115833 | 10047 | 0 | None | - | 0 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.5 | CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm960669+ | ||
| 155544674 | 174354 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 1822 | 71 | 18 | 23 | 2.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4565336 | 174354 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 1822 | 71 | 18 | 23 | 2.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 15291593 | 112341 | 0 | None | - | 0 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 537 | 6 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(N3CCCC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm960669+ | ||
| CHEMBL330933 | 112341 | 0 | None | - | 0 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 537 | 6 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(N3CCCC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm960669+ | ||
| 9828961 | 167412 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 548 | 6 | 4 | 4 | 5.2 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)O)c1)C[C@@H]2C1CCCCC1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL431919 | 167412 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 548 | 6 | 4 | 4 | 5.2 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)O)c1)C[C@@H]2C1CCCCC1 | 10.1016/0960-894X(95)00327-P | ||
| 11798691 | 57948 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 473 | 5 | 4 | 7 | 3.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(Nc3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm9506736 | ||
| CHEMBL168263 | 57948 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 473 | 5 | 4 | 7 | 3.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(Nc3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm9506736 | ||
| CHEMBL384035 | 210559 | 1 | None | 8 | 4 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00072a024 | ||||
| CHEMBL428666 | 210559 | 1 | None | 8 | 4 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00072a024 | ||||
| 10839478 | 110155 | 0 | None | - | 0 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 512 | 6 | 2 | 6 | 4.1 | CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| CHEMBL325863 | 110155 | 0 | None | - | 0 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 512 | 6 | 2 | 6 | 4.1 | CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| 145993882 | 166771 | 0 | None | - | 0 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 509 | 5 | 4 | 6 | 4.2 | O=C(O)c1cccc(NC(=S)NNc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)c1 | 10.1039/C7MD00171A | ||
| CHEMBL4294388 | 166771 | 0 | None | - | 0 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 509 | 5 | 4 | 6 | 4.2 | O=C(O)c1cccc(NC(=S)NNc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)c1 | 10.1039/C7MD00171A | ||
| 155516677 | 169511 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 1822 | 72 | 18 | 23 | 2.7 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4443415 | 169511 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 1822 | 72 | 18 | 23 | 2.7 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 44368611 | 121467 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 541 | 10 | 4 | 3 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL359292 | 121467 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 541 | 10 | 4 | 3 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 23928173 | 113636 | 0 | None | - | 0 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 511 | 6 | 2 | 5 | 4.7 | CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| CHEMBL332931 | 113636 | 0 | None | - | 0 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 511 | 6 | 2 | 5 | 4.7 | CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| CHEMBL382409 | 210549 | 0 | None | 6918 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 44300743 | 100479 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 572 | 6 | 4 | 6 | 4.7 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2C1CCCCC1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL294161 | 100479 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 572 | 6 | 4 | 6 | 4.7 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2C1CCCCC1 | 10.1016/0960-894X(95)00327-P | ||
| 10459108 | 28182 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 2 | 5 | 3.9 | CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(OC)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL137516 | 28182 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 2 | 5 | 3.9 | CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(OC)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960249k | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960249k | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960249k | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960249k | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960249k | ||||
| 21842375 | 44004 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 494 | 6 | 2 | 4 | 5.1 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL151719 | 44004 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 494 | 6 | 2 | 4 | 5.1 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 21842375 | 44004 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 494 | 6 | 2 | 4 | 5.1 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL151719 | 44004 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 494 | 6 | 2 | 4 | 5.1 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 44313549 | 203124 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 573 | 6 | 3 | 6 | 4.3 | CN1C(=O)C(NC(=O)Nc2cccc(S(=O)(=O)NC(=O)c3ccccc3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1016/0960-894X(95)00399-E | ||
| CHEMBL75490 | 203124 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 573 | 6 | 3 | 6 | 4.3 | CN1C(=O)C(NC(=O)Nc2cccc(S(=O)(=O)NC(=O)c3ccccc3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1016/0960-894X(95)00399-E | ||
| 10440992 | 160737 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 990 | 28 | 9 | 11 | 1.8 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL412238 | 160737 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 990 | 28 | 9 | 11 | 1.8 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 10075097 | 28417 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 511 | 6 | 2 | 5 | 3.6 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL137726 | 28417 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 511 | 6 | 2 | 5 | 3.6 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44331825 | 167399 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 692 | 5 | 1 | 6 | 5.1 | CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL431805 | 167399 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 692 | 5 | 1 | 6 | 5.1 | CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| 44300989 | 100498 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 625 | 7 | 4 | 6 | 4.2 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)NS(C)(=O)=O)c1)C[C@@H]2C1CCCCC1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL294252 | 100498 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 625 | 7 | 4 | 6 | 4.2 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)NS(C)(=O)=O)c1)C[C@@H]2C1CCCCC1 | 10.1016/0960-894X(95)00327-P | ||
| 136055865 | 119678 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 468 | 4 | 3 | 7 | 3.4 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(-c3noc(O)n3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| CHEMBL351891 | 119678 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 468 | 4 | 3 | 7 | 3.4 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(-c3noc(O)n3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| 10257790 | 102369 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 587 | 6 | 3 | 6 | 4.6 | Cc1ccccc1S(=O)(=O)NC(=O)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00399-E | ||
| CHEMBL305649 | 102369 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 587 | 6 | 3 | 6 | 4.6 | Cc1ccccc1S(=O)(=O)NC(=O)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00399-E | ||
| 21842331 | 43277 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 522 | 7 | 2 | 4 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)CC3CCCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL150869 | 43277 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 522 | 7 | 2 | 4 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)CC3CCCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 10414170 | 170041 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL445095 | 170041 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1016/S0960-894X(00)80683-6 | ||
| 9953071 | 197377 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| CHEMBL58699 | 197377 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| 9953071 | 197377 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00399-E | ||
| CHEMBL58699 | 197377 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00399-E | ||
| 10414170 | 170041 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1021/jm00121a004 | ||
| CHEMBL445095 | 170041 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1021/jm00121a004 | ||
| 9953071 | 197377 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(01)80987-2 | ||
| CHEMBL58699 | 197377 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(01)80987-2 | ||
| 10719765 | 77943 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 487 | 6 | 4 | 7 | 3.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm9506736 | ||
| CHEMBL2110202 | 77943 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 487 | 6 | 4 | 7 | 3.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm9506736 | ||
| 9953071 | 197377 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9608523 | ||
| CHEMBL58699 | 197377 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9608523 | ||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| 155555346 | 173790 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 1836 | 71 | 17 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4551834 | 173790 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 1836 | 71 | 17 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL384035 | 210559 | 1 | None | 8 | 4 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80679-4 | ||||
| CHEMBL428666 | 210559 | 1 | None | 8 | 4 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80679-4 | ||||
| CHEMBL384035 | 210559 | 1 | None | 8 | 4 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00072a024 | ||||
| CHEMBL428666 | 210559 | 1 | None | 8 | 4 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00072a024 | ||||
| 4627 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00198-0 | ||||
| 864 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00198-0 | ||||
| 9833444 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00198-0 | ||||
| CHEMBL1121 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00198-0 | ||||
| DB09142 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00198-0 | ||||
| 18957789 | 203128 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 539 | 6 | 3 | 6 | 3.6 | CC(C)S(=O)(=O)NC(=O)c1cccc(NC(=O)NC2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00399-E | ||
| CHEMBL75536 | 203128 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 539 | 6 | 3 | 6 | 3.6 | CC(C)S(=O)(=O)NC(=O)c1cccc(NC(=O)NC2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00399-E | ||
| 71460027 | 79290 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 541 | 9 | 4 | 4 | 5.3 | O=C(O)C[C@H](Cc1ccccc1)NC(=O)C(=Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(00)80273-5 | ||
| CHEMBL2115544 | 79290 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 541 | 9 | 4 | 4 | 5.3 | O=C(O)C[C@H](Cc1ccccc1)NC(=O)C(=Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(00)80273-5 | ||
| CHEMBL269098 | 209023 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(01)81250-6 | ||||
| 4627 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00092a007 | ||||
| 864 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00092a007 | ||||
| 9833444 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00092a007 | ||||
| CHEMBL1121 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00092a007 | ||||
| DB09142 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00092a007 | ||||
| 15667003 | 96877 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 1016 | 27 | 8 | 11 | 2.3 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CCC)[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL269355 | 96877 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 1016 | 27 | 8 | 11 | 2.3 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CCC)[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 4627 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00105a062 | ||||
| 864 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00105a062 | ||||
| 9833444 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00105a062 | ||||
| CHEMBL1121 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00105a062 | ||||
| DB09142 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00105a062 | ||||
| 10673039 | 57941 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 501 | 5 | 3 | 7 | 3.8 | Cc1ccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)cc1N(C)c1nn[nH]n1 | 10.1021/jm9506736 | ||
| CHEMBL168253 | 57941 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 501 | 5 | 3 | 7 | 3.8 | Cc1ccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)cc1N(C)c1nn[nH]n1 | 10.1021/jm9506736 | ||
| 4627 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80687-3 | ||||
| 864 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80687-3 | ||||
| 9833444 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80687-3 | ||||
| CHEMBL1121 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80687-3 | ||||
| DB09142 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80687-3 | ||||
| 4627 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00057a005 | ||||
| 864 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00057a005 | ||||
| 9833444 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00057a005 | ||||
| CHEMBL1121 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00057a005 | ||||
| DB09142 | 807 | 44 | None | - | 5 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00057a005 | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9601664 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9601664 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9601664 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9601664 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9601664 | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950626d | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950626d | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950626d | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950626d | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950626d | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00001a027 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00001a027 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00001a027 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00001a027 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00001a027 | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00017a022 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00017a022 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00017a022 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00017a022 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00017a022 | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00062-0 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00062-0 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00062-0 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00062-0 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00062-0 | ||||
| 10074366 | 120074 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3349028 | 120074 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3545866 | 120074 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960205b | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960205b | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960205b | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960205b | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960205b | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm970265x | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm970265x | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm970265x | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm970265x | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm970265x | ||||
| 44210536 | 168784 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 511 | 5 | 3 | 6 | 3.0 | CC(=O)NS(=O)(=O)c1cccc(NC(=O)NC2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00399-E | ||
| CHEMBL441989 | 168784 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 511 | 5 | 3 | 6 | 3.0 | CC(=O)NS(=O)(=O)c1cccc(NC(=O)NC2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00399-E | ||
| 44293892 | 161126 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 613 | 6 | 2 | 5 | 5.8 | CSc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL413267 | 161126 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 613 | 6 | 2 | 5 | 5.8 | CSc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 | 10.1016/S0960-894X(96)00609-9 | ||
| 9892971 | 120471 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL356386 | 120471 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 10484212 | 99404 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 635 | 6 | 3 | 7 | 4.3 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(-c3nn[nH]n3)c1)N=C2c1ccccc1F | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL285921 | 99404 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 635 | 6 | 3 | 7 | 4.3 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(-c3nn[nH]n3)c1)N=C2c1ccccc1F | 10.1016/S0960-894X(96)00609-9 | ||
| 155564367 | 174574 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1836 | 72 | 18 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4570130 | 174574 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1836 | 72 | 18 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 21842313 | 167979 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 5.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL435639 | 167979 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 5.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 162659624 | 180644 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1449 | 38 | 15 | 19 | -1.6 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL4761587 | 180644 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1449 | 38 | 15 | 19 | -1.6 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| 21842373 | 120454 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 480 | 6 | 2 | 4 | 4.7 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL356226 | 120454 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 480 | 6 | 2 | 4 | 4.7 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 23844130 | 10004 | 12 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 484 | 5 | 3 | 6 | 3.6 | CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(N)c2)N=C(c2ccccn2)c2ccccc21 | 10.1021/jm960669+ | ||
| CHEMBL115612 | 10004 | 12 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 484 | 5 | 3 | 6 | 3.6 | CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(N)c2)N=C(c2ccccn2)c2ccccc21 | 10.1021/jm960669+ | ||
| 9982757 | 51181 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 483 | 5 | 2 | 5 | 4.3 | Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL158235 | 51181 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 483 | 5 | 2 | 5 | 4.3 | Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 9891461 | 164459 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 483 | 5 | 2 | 5 | 4.3 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| CHEMBL422604 | 164459 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 483 | 5 | 2 | 5 | 4.3 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| CHEMBL37830 | 210503 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CCCS[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 44293810 | 101270 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 581 | 5 | 2 | 4 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL299800 | 101270 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 581 | 5 | 2 | 4 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 | 10.1016/S0960-894X(96)00609-9 | ||
| 10369805 | 100073 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 532 | 5 | 3 | 3 | 5.6 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL291458 | 100073 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 532 | 5 | 3 | 3 | 5.6 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| 10369805 | 100073 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 532 | 5 | 3 | 3 | 5.6 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 | 10.1021/jm00048a015 | ||
| CHEMBL291458 | 100073 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 532 | 5 | 3 | 3 | 5.6 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 | 10.1021/jm00048a015 | ||
| 44348650 | 112594 | 0 | None | - | 0 | Bovine | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 986 | 24 | 11 | 11 | 2.0 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(S(=O)(=O)O)cc2)NC(=O)O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| CHEMBL331408 | 112594 | 0 | None | - | 0 | Bovine | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 986 | 24 | 11 | 11 | 2.0 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(S(=O)(=O)O)cc2)NC(=O)O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| 10414170 | 170041 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL445095 | 170041 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1016/S0960-894X(00)80683-6 | ||
| 10414170 | 170041 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1021/jm00121a004 | ||
| CHEMBL445095 | 170041 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1021/jm00121a004 | ||
| 15666988 | 106762 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 976 | 29 | 10 | 11 | 1.6 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL316949 | 106762 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 976 | 29 | 10 | 11 | 1.6 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 14888718 | 76884 | 0 | None | - | 0 | Bovine | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1041 | 29 | 11 | 14 | -0.1 | CSCC[C@H](NC(=O)[C@H](Cc1ccc(-c2nn[nH]n2)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| CHEMBL2079606 | 76884 | 0 | None | - | 0 | Bovine | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1041 | 29 | 11 | 14 | -0.1 | CSCC[C@H](NC(=O)[C@H](Cc1ccc(-c2nn[nH]n2)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| 23815458 | 167221 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 483 | 5 | 3 | 5 | 4.2 | CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(N)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm960669+ | ||
| CHEMBL430516 | 167221 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 483 | 5 | 3 | 5 | 4.2 | CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(N)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm960669+ | ||
| 903 | 2963 | 6 | None | - | 1 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 9850711 | 2963 | 6 | None | - | 1 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL138534 | 2963 | 6 | None | - | 1 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL2111312 | 2963 | 6 | None | - | 1 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 21842317 | 121153 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 482 | 5 | 2 | 4 | 4.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL358646 | 121153 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 482 | 5 | 2 | 4 | 4.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 21842317 | 121153 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 482 | 5 | 2 | 4 | 4.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL358646 | 121153 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 482 | 5 | 2 | 4 | 4.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 10322988 | 10038 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 482 | 5 | 2 | 4 | 4.9 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| CHEMBL115772 | 10038 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 482 | 5 | 2 | 4 | 4.9 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| 10478703 | 119394 | 1 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(NC(=O)NC2N=C(N3CC4CCC(CC4)C3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| CHEMBL349291 | 119394 | 1 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(NC(=O)NC2N=C(N3CC4CCC(CC4)C3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| 10323637 | 105692 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 498 | 7 | 2 | 5 | 3.6 | CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccn2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL313813 | 105692 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 498 | 7 | 2 | 5 | 3.6 | CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccn2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10323637 | 105692 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 498 | 7 | 2 | 5 | 3.6 | CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccn2)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL313813 | 105692 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 498 | 7 | 2 | 5 | 3.6 | CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccn2)c2ccccc21 | 10.1021/jm9608523 | ||
| 21842400 | 120448 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 496 | 7 | 2 | 4 | 5.3 | CCC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL356191 | 120448 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 496 | 7 | 2 | 4 | 5.3 | CCC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/0960-894X(95)00556-9 | ||
| 9806412 | 203175 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 511 | 5 | 3 | 6 | 2.9 | CN1C(=O)C(NC(=O)Nc2cccc(C(=O)NS(C)(=O)=O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1016/0960-894X(95)00399-E | ||
| CHEMBL75892 | 203175 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 511 | 5 | 3 | 6 | 2.9 | CN1C(=O)C(NC(=O)Nc2cccc(C(=O)NS(C)(=O)=O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1016/0960-894X(95)00399-E | ||
| 10814625 | 83040 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 481 | 5 | 3 | 7 | 2.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(N(C)c3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm9506736 | ||
| CHEMBL22003 | 83040 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 481 | 5 | 3 | 7 | 2.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(N(C)c3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm9506736 | ||
| 155540415 | 172360 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1862 | 71 | 17 | 23 | 3.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4516868 | 172360 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1862 | 71 | 17 | 23 | 3.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 18957759 | 102530 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 573 | 6 | 3 | 6 | 4.3 | CN1C(=O)C(NC(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccccc3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1016/0960-894X(95)00399-E | ||
| CHEMBL306944 | 102530 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 573 | 6 | 3 | 6 | 4.3 | CN1C(=O)C(NC(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccccc3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1016/0960-894X(95)00399-E | ||
| 15667014 | 106761 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 976 | 28 | 10 | 11 | 1.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL316944 | 106761 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 976 | 28 | 10 | 11 | 1.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 10673307 | 110134 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 511 | 7 | 3 | 5 | 4.2 | CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(NC=O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm960669+ | ||
| CHEMBL325746 | 110134 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 511 | 7 | 3 | 5 | 4.2 | CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(NC=O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm960669+ | ||
| 44300745 | 196664 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 562 | 6 | 3 | 5 | 5.3 | COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](C3CCCCC3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL57643 | 196664 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 562 | 6 | 3 | 5 | 5.3 | COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](C3CCCCC3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL1806526 | 207219 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||||
| 162657745 | 180424 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1475 | 37 | 14 | 19 | -1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL4759105 | 180424 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1475 | 37 | 14 | 19 | -1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| 9984739 | 114303 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 538 | 5 | 3 | 3 | 6.2 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2C1CCCCC1 | 10.1021/jm00048a015 | ||
| CHEMBL334100 | 114303 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 538 | 5 | 3 | 3 | 6.2 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2C1CCCCC1 | 10.1021/jm00048a015 | ||
| 10369336 | 116242 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 4.5 | CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL337574 | 116242 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 4.5 | CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10480792 | 45528 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL153095 | 45528 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3350686 | 45528 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 10009526 | 110001 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 655 | 6 | 3 | 7 | 4.6 | O=C(Nc1cccc(-c2nn[nH]n2)c1)NC1N=C(c2ccccc2F)c2cccc(Cl)c2N(CC(=O)N2CC3CCC(CC3)C2)C1=O | 10.1016/s0960-894x(98)00237-6 | ||
| CHEMBL32492 | 110001 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 655 | 6 | 3 | 7 | 4.6 | O=C(Nc1cccc(-c2nn[nH]n2)c1)NC1N=C(c2ccccc2F)c2cccc(Cl)c2N(CC(=O)N2CC3CCC(CC3)C2)C1=O | 10.1016/s0960-894x(98)00237-6 | ||
| 145992870 | 166324 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 475 | 7 | 4 | 7 | 3.8 | CCOc1ccc(-n2c(NNC(=S)Nc3cccc(C(=O)O)c3)nc3ccccc3c2=O)cc1 | 10.1039/C7MD00171A | ||
| CHEMBL4286087 | 166324 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 475 | 7 | 4 | 7 | 3.8 | CCOc1ccc(-n2c(NNC(=S)Nc3cccc(C(=O)O)c3)nc3ccccc3c2=O)cc1 | 10.1039/C7MD00171A | ||
| 10484212 | 99404 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 635 | 6 | 3 | 7 | 4.3 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(-c3nn[nH]n3)c1)N=C2c1ccccc1F | 10.1016/s0960-894x(98)00237-6 | ||
| CHEMBL285921 | 99404 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 635 | 6 | 3 | 7 | 4.3 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(-c3nn[nH]n3)c1)N=C2c1ccccc1F | 10.1016/s0960-894x(98)00237-6 | ||
| 10484212 | 99404 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 635 | 6 | 3 | 7 | 4.3 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(-c3nn[nH]n3)c1)N=C2c1ccccc1F | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL285921 | 99404 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 635 | 6 | 3 | 7 | 4.3 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(-c3nn[nH]n3)c1)N=C2c1ccccc1F | 10.1016/S0960-894X(96)00609-9 | ||
| 44301015 | 197373 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 609 | 7 | 5 | 7 | 3.7 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)Nc3nn[nH]n3)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL58658 | 197373 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 609 | 7 | 5 | 7 | 3.7 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)Nc3nn[nH]n3)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL1806772 | 207225 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||||
| 6439414 | 2964 | 11 | None | 2454 | 2 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 612 | 11 | 5 | 5 | 4.6 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)/C=C/C(=O)O | 10.1021/jm00105a062 | ||
| 867 | 2964 | 11 | None | 2454 | 2 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 612 | 11 | 5 | 5 | 4.6 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)/C=C/C(=O)O | 10.1021/jm00105a062 | ||
| CHEMBL3351022 | 2964 | 11 | None | 2454 | 2 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 612 | 11 | 5 | 5 | 4.6 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)/C=C/C(=O)O | 10.1021/jm00105a062 | ||
| CHEMBL341460 | 2964 | 11 | None | 2454 | 2 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 612 | 11 | 5 | 5 | 4.6 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)/C=C/C(=O)O | 10.1021/jm00105a062 | ||
| 44368728 | 118988 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 596 | 11 | 5 | 4 | 4.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)/C=C/C(=O)O)c1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL345512 | 118988 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 596 | 11 | 5 | 4 | 4.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)/C=C/C(=O)O)c1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL2370335 | 208075 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CCC[C@@H]1CCN(C(=O)[C@@H]2Cc3c[nH]c4cccc(c34)CC(=O)N2)[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(96)00546-X | ||||
| 18656023 | 104390 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 573 | 6 | 3 | 6 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccccc3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1016/0960-894X(95)00399-E | ||
| CHEMBL311154 | 104390 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 573 | 6 | 3 | 6 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccccc3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1016/0960-894X(95)00399-E | ||
| 18656022 | 203080 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 539 | 6 | 3 | 6 | 3.6 | CC(C)S(=O)(=O)NC(=O)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00399-E | ||
| CHEMBL75019 | 203080 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 539 | 6 | 3 | 6 | 3.6 | CC(C)S(=O)(=O)NC(=O)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00399-E | ||
| CHEMBL407057 | 210878 | 0 | None | 120 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O | 10.1021/jm960078j | ||||
| 44369595 | 167951 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 475 | 7 | 2 | 7 | 4.2 | Cc1cccc(NCNC2N=C(c3nccs3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL435447 | 167951 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 475 | 7 | 2 | 7 | 4.2 | Cc1cccc(NCNC2N=C(c3nccs3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL1806527 | 207220 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||||
| 9853654 | 22573 | 37 | None | -31 | 2 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00092a007 | ||
| CHEMBL1328 | 22573 | 37 | None | -31 | 2 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00092a007 | ||
| 14802543 | 169901 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 600 | 11 | 5 | 5 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL2112693 | 169901 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 600 | 11 | 5 | 5 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL444902 | 169901 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 600 | 11 | 5 | 5 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| 9853654 | 22573 | 37 | None | -31 | 2 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00105a062 | ||
| CHEMBL1328 | 22573 | 37 | None | -31 | 2 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00105a062 | ||
| 14802525 | 116214 | 1 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 626 | 12 | 5 | 5 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL337384 | 116214 | 1 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 626 | 12 | 5 | 5 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| 10392653 | 118523 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 544 | 5 | 2 | 5 | 3.4 | CN1CCN(C(=O)CN2C(=O)C(NC(=O)Nc3ccc(Cl)cc3)N=C(c3ccccc3)c3ccccc32)CC1 | 10.1021/jm00078a018 | ||
| CHEMBL342640 | 118523 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 544 | 5 | 2 | 5 | 3.4 | CN1CCN(C(=O)CN2C(=O)C(NC(=O)Nc3ccc(Cl)cc3)N=C(c3ccccc3)c3ccccc32)CC1 | 10.1021/jm00078a018 | ||
| 9853654 | 22573 | 37 | None | -31 | 2 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00057a005 | ||
| CHEMBL1328 | 22573 | 37 | None | -31 | 2 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00057a005 | ||
| 44368613 | 120476 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 610 | 12 | 5 | 4 | 4.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL356419 | 120476 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 610 | 12 | 5 | 4 | 4.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 44300852 | 101488 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 566 | 6 | 4 | 6 | 4.1 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL301418 | 101488 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 566 | 6 | 4 | 6 | 4.1 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| 10009450 | 99391 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 649 | 7 | 3 | 7 | 4.5 | CCc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(-c3nn[nH]n3)c1)N=C2c1ccccc1F | 10.1016/s0960-894x(98)00237-6 | ||
| CHEMBL285850 | 99391 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 649 | 7 | 3 | 7 | 4.5 | CCc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(-c3nn[nH]n3)c1)N=C2c1ccccc1F | 10.1016/s0960-894x(98)00237-6 | ||
| 44293998 | 187830 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 609 | 6 | 2 | 5 | 5.3 | CC(=O)c1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL50215 | 187830 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 609 | 6 | 2 | 5 | 5.3 | CC(=O)c1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 | 10.1016/S0960-894X(96)00609-9 | ||
| 22883501 | 10307 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 552 | 6 | 2 | 6 | 5.0 | CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(N3CCCCC3)c2)N=C(c2ccccn2)c2ccccc21 | 10.1021/jm960669+ | ||
| CHEMBL116300 | 10307 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 552 | 6 | 2 | 6 | 5.0 | CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(N3CCCCC3)c2)N=C(c2ccccn2)c2ccccc21 | 10.1021/jm960669+ | ||
| 21842353 | 120506 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 550 | 7 | 2 | 4 | 6.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C3CCCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL356631 | 120506 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 550 | 7 | 2 | 4 | 6.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C3CCCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 44300863 | 196662 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 619 | 7 | 4 | 6 | 3.7 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)NS(C)(=O)=O)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL57642 | 196662 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 619 | 7 | 4 | 6 | 3.7 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)NS(C)(=O)=O)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| 44300891 | 197863 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 586 | 7 | 4 | 6 | 5.1 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2CC1CCCCC1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL59234 | 197863 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 586 | 7 | 4 | 6 | 5.1 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2CC1CCCCC1 | 10.1016/0960-894X(95)00327-P | ||
| 15281185 | 49174 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3cnccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL156484 | 49174 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3cnccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 155524181 | 170276 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1820 | 71 | 18 | 22 | 2.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4453982 | 170276 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1820 | 71 | 18 | 22 | 2.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL1807151 | 207226 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||||
| 162673067 | 182551 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1403 | 38 | 16 | 20 | -3.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL4795198 | 182551 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1403 | 38 | 16 | 20 | -3.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL2310858 | 207735 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CCCC1CCN([C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(N)=O)[C@H]1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OS(=O)(=O)O)cc1 | 10.1021/jm00094a001 | ||||
| 44348901 | 141284 | 0 | None | - | 0 | Bovine | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1000 | 24 | 11 | 11 | 2.3 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(S(=O)(=O)O)cc2)NC(=O)O)c1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| CHEMBL386376 | 141284 | 0 | None | - | 0 | Bovine | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1000 | 24 | 11 | 11 | 2.3 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(S(=O)(=O)O)cc2)NC(=O)O)c1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 10031259 | 4219 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 586 | 12 | 3 | 4 | 4.3 | O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)N(CCC1CCCCC1)CC(=O)N1CCC[C@H]1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL100799 | 4219 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 586 | 12 | 3 | 4 | 4.3 | O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)N(CCC1CCCCC1)CC(=O)N1CCC[C@H]1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| 44396655 | 121523 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 608 | 8 | 2 | 5 | 5.7 | C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| CHEMBL359589 | 121523 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 608 | 8 | 2 | 5 | 5.7 | C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| 44293971 | 188436 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 611 | 6 | 3 | 5 | 4.8 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(C(=O)O)c1)N=C2c1ccccc1F | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL50926 | 188436 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 611 | 6 | 3 | 5 | 4.8 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(C(=O)O)c1)N=C2c1ccccc1F | 10.1016/S0960-894X(96)00609-9 | ||
| 44300889 | 100281 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 532 | 6 | 4 | 6 | 3.8 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2C(C)C | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL292856 | 100281 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 532 | 6 | 4 | 6 | 3.8 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2C(C)C | 10.1016/0960-894X(95)00327-P | ||
| 10744557 | 32492 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 521 | 7 | 4 | 4 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C(=O)O | 10.1021/jm970065l | ||
| CHEMBL141370 | 32492 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 521 | 7 | 4 | 4 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C(=O)O | 10.1021/jm970065l | ||
| 10435698 | 140864 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 490 | 6 | 2 | 5 | 4.2 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL38404 | 140864 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 490 | 6 | 2 | 5 | 4.2 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| 44301037 | 100377 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 633 | 8 | 4 | 6 | 4.0 | CCS(=O)(=O)NC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL293490 | 100377 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 633 | 8 | 4 | 6 | 4.0 | CCS(=O)(=O)NC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00327-P | ||
| 10814373 | 205364 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 474 | 7 | 3 | 8 | 4.2 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL9203 | 205364 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 474 | 7 | 3 | 8 | 4.2 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 10435698 | 140864 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 490 | 6 | 2 | 5 | 4.2 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL38404 | 140864 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 490 | 6 | 2 | 5 | 4.2 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| 9853654 | 22573 | 37 | None | 31 | 2 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL1328 | 22573 | 37 | None | 31 | 2 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01233 | ||
| 10369805 | 100073 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 532 | 5 | 3 | 3 | 5.6 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 | 10.1021/jm00048a015 | ||
| CHEMBL291458 | 100073 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 532 | 5 | 3 | 3 | 5.6 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 | 10.1021/jm00048a015 | ||
| 44293999 | 187831 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 597 | 6 | 2 | 5 | 5.1 | COc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL50216 | 187831 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 597 | 6 | 2 | 5 | 5.1 | COc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 | 10.1016/S0960-894X(96)00609-9 | ||
| 10074702 | 27392 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 500 | 8 | 2 | 6 | 4.0 | CCOC(=O)CCN1C(=O)C(NC(=O)Nc2cccc(OC)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL136966 | 27392 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 500 | 8 | 2 | 6 | 4.0 | CCOC(=O)CCN1C(=O)C(NC(=O)Nc2cccc(OC)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10435698 | 140864 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 490 | 6 | 2 | 5 | 4.2 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL38404 | 140864 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 490 | 6 | 2 | 5 | 4.2 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 4627 | 807 | 44 | None | 1 | 5 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a003 | ||||
| 864 | 807 | 44 | None | 1 | 5 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a003 | ||||
| 9833444 | 807 | 44 | None | 1 | 5 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a003 | ||||
| CHEMBL1121 | 807 | 44 | None | 1 | 5 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a003 | ||||
| DB09142 | 807 | 44 | None | 1 | 5 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00079a003 | ||||
| 44376112 | 119675 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 452 | 4 | 3 | 6 | 2.8 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| CHEMBL351854 | 119675 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 452 | 4 | 3 | 6 | 2.8 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| 10007047 | 16727 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 524 | 5 | 3 | 3 | 5.8 | CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](C2CCCCC2)c2ccccc21 | 10.1021/jm00048a015 | ||
| CHEMBL125253 | 16727 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 524 | 5 | 3 | 3 | 5.8 | CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](C2CCCCC2)c2ccccc21 | 10.1021/jm00048a015 | ||
| CHEMBL218327 | 207639 | 0 | None | -2 | 4 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00121a004 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00121a004 | ||
| 15667019 | 206478 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 905 | 26 | 9 | 10 | 2.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL98631 | 206478 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 905 | 26 | 9 | 10 | 2.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 10576729 | 58903 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 481 | 5 | 4 | 7 | 3.2 | Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1Nc1nn[nH]n1 | 10.1021/jm9506736 | ||
| CHEMBL170275 | 58903 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 481 | 5 | 4 | 7 | 3.2 | Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1Nc1nn[nH]n1 | 10.1021/jm9506736 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00164a020 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00164a020 | ||
| 10789887 | 205684 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 454 | 6 | 3 | 7 | 4.2 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL9405 | 205684 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 454 | 6 | 3 | 7 | 4.2 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 10075014 | 162419 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 508 | 6 | 2 | 5 | 4.4 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL417521 | 162419 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 508 | 6 | 2 | 5 | 4.4 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| 10075014 | 162419 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 508 | 6 | 2 | 5 | 4.4 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL417521 | 162419 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 508 | 6 | 2 | 5 | 4.4 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44368562 | 121436 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 588 | 12 | 5 | 5 | 4.3 | C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL359076 | 121436 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 588 | 12 | 5 | 5 | 4.3 | C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 10696336 | 203614 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 487 | 5 | 3 | 4 | 4.6 | CCCN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)CCC3)N=C([C@H]2CC(C)(C)CCN2)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL79565 | 203614 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 487 | 5 | 3 | 4 | 4.6 | CCCN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)CCC3)N=C([C@H]2CC(C)(C)CCN2)c2ccccc21 | 10.1021/jm9608523 | ||
| 10364786 | 104379 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 419 | 2 | 2 | 4 | 3.7 | Cc1cccc(NC(=O)NC2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| CHEMBL311061 | 104379 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 419 | 2 | 2 | 4 | 3.7 | Cc1cccc(NC(=O)NC2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| 10768084 | 9909 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 512 | 6 | 2 | 6 | 4.1 | CN(C)c1cccc(NC(=O)N[C@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| CHEMBL114991 | 9909 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 512 | 6 | 2 | 6 | 4.1 | CN(C)c1cccc(NC(=O)N[C@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm960669+ | ||
| 10815039 | 112336 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 493 | 5 | 2 | 5 | 4.5 | CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C#N)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm960669+ | ||
| CHEMBL330917 | 112336 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 493 | 5 | 2 | 5 | 4.5 | CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C#N)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm960669+ | ||
| 162658676 | 180390 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1489 | 37 | 14 | 19 | -0.7 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL4758706 | 180390 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1489 | 37 | 14 | 19 | -0.7 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| 71450869 | 83950 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 650 | 12 | 5 | 6 | 4.3 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCS(=O)(=O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL2112338 | 83950 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 650 | 12 | 5 | 6 | 4.3 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCS(=O)(=O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL2219559 | 83950 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 650 | 12 | 5 | 6 | 4.3 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCS(=O)(=O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| 4627 | 807 | 44 | None | - | 5 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(01)00044-0 | ||||
| 864 | 807 | 44 | None | - | 5 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(01)00044-0 | ||||
| 9833444 | 807 | 44 | None | - | 5 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(01)00044-0 | ||||
| CHEMBL1121 | 807 | 44 | None | - | 5 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(01)00044-0 | ||||
| DB09142 | 807 | 44 | None | - | 5 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(01)00044-0 | ||||
| 10364786 | 104379 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 419 | 2 | 2 | 4 | 3.7 | Cc1cccc(NC(=O)NC2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9608523 | ||
| CHEMBL311061 | 104379 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 419 | 2 | 2 | 4 | 3.7 | Cc1cccc(NC(=O)NC2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9608523 | ||
| 10251516 | 13247 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 419 | 2 | 2 | 4 | 3.7 | Cc1cccc(NC(=O)N[C@@H]2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| CHEMBL1192472 | 13247 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 419 | 2 | 2 | 4 | 3.7 | Cc1cccc(NC(=O)N[C@@H]2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| CHEMBL543712 | 13247 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 419 | 2 | 2 | 4 | 3.7 | Cc1cccc(NC(=O)N[C@@H]2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| 44301034 | 101103 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 556 | 6 | 3 | 5 | 4.8 | COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL298627 | 101103 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 556 | 6 | 3 | 5 | 4.8 | COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00327-P | ||
| 44210535 | 102512 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 434 | 4 | 3 | 4 | 3.9 | CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1016/0960-894X(95)00399-E | ||
| CHEMBL306803 | 102512 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 434 | 4 | 3 | 4 | 3.9 | CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1016/0960-894X(95)00399-E | ||
| 162673242 | 182616 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1475 | 37 | 14 | 19 | -1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| CHEMBL4795913 | 182616 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1475 | 37 | 14 | 19 | -1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | 10.1021/acs.jmedchem.0c01233 | ||
| 15667012 | 168473 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 976 | 28 | 10 | 11 | 1.5 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL439591 | 168473 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 976 | 28 | 10 | 11 | 1.5 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 10482588 | 18341 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 546 | 6 | 3 | 3 | 5.8 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2Cc1ccccc1 | 10.1021/jm00048a015 | ||
| CHEMBL127521 | 18341 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 546 | 6 | 3 | 3 | 5.8 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2Cc1ccccc1 | 10.1021/jm00048a015 | ||
| 10436569 | 77477 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1021/jm00078a018 | ||
| CHEMBL2092976 | 77477 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1021/jm00078a018 | ||
| 10791546 | 205344 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 501 | 8 | 3 | 8 | 4.5 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL9188 | 205344 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 501 | 8 | 3 | 8 | 4.5 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 | 10.1021/jm970373j | ||
| 10346998 | 17911 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 532 | 5 | 2 | 3 | 5.7 | CN(C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccccc21)C(C)(C)C | 10.1021/jm00048a015 | ||
| CHEMBL126865 | 17911 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 532 | 5 | 2 | 3 | 5.7 | CN(C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccccc21)C(C)(C)C | 10.1021/jm00048a015 | ||
| 10837729 | 105951 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 461 | 5 | 3 | 4 | 4.5 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@H]2CC(C)(C)CCN2)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL313983 | 105951 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 461 | 5 | 3 | 4 | 4.5 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@H]2CC(C)(C)CCN2)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL206974 | 207428 | 0 | None | 1 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 21842365 | 119236 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 495 | 6 | 2 | 5 | 4.5 | Cc1cccc(NC(=O)NC2N=C(c3cccnc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL347843 | 119236 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 495 | 6 | 2 | 5 | 4.5 | Cc1cccc(NC(=O)NC2N=C(c3cccnc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80680-0 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80680-0 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80680-0 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80680-0 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80680-0 | ||||
| CHEMBL1806530 | 207222 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||||
| 10414170 | 170041 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1021/jm00078a018 | ||
| CHEMBL445095 | 170041 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1021/jm00078a018 | ||
| CHEMBL382349 | 210545 | 0 | None | 1 | 4 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 52949124 | 861 | 2 | None | 2 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | 2 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | 2 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | 2 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 44300890 | 101407 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 580 | 7 | 4 | 6 | 4.3 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2Cc1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL300776 | 101407 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 580 | 7 | 4 | 6 | 4.3 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2Cc1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| 108187 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(00)80273-5 | ||
| 873 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(00)80273-5 | ||
| CHEMBL2062154 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(00)80273-5 | ||
| CHEMBL287735 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(00)80273-5 | ||
| 155534566 | 171399 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1409 | 38 | 15 | 21 | -2.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cc([C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| CHEMBL4470833 | 171399 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1409 | 38 | 15 | 21 | -2.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cc([C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| 59923871 | 73597 | 1 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(00)80156-0 | ||
| CHEMBL2021374 | 73597 | 1 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(00)80156-0 | ||
| 71452691 | 78204 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 671 | 12 | 5 | 7 | 3.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)C[S+]([O-])c1nc[nH]n1)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL2112336 | 78204 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 671 | 12 | 5 | 7 | 3.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)C[S+]([O-])c1nc[nH]n1)c1ccccc1 | 10.1021/jm00092a007 | ||
| 14802538 | 96228 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL263969 | 96228 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| 108187 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00105a062 | ||
| 873 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00105a062 | ||
| CHEMBL2062154 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00105a062 | ||
| CHEMBL287735 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00105a062 | ||
| 14802537 | 85547 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL2304062 | 85547 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| 108187 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(00)80685-X | ||
| 873 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL2062154 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL287735 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(00)80685-X | ||
| 14802538 | 96228 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/s0960-894x(98)00677-5 | ||
| CHEMBL263969 | 96228 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/s0960-894x(98)00677-5 | ||
| 108187 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(97)00356-9 | ||
| 873 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL2062154 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL287735 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(97)00356-9 | ||
| 44368727 | 118987 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 598 | 12 | 5 | 4 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL345511 | 118987 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 598 | 12 | 5 | 4 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00057a005 | ||
| 108187 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970065l | ||
| 873 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970065l | ||
| CHEMBL2062154 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970065l | ||
| CHEMBL287735 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970065l | ||
| 14802539 | 76184 | 1 | None | - | 1 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| CHEMBL2062144 | 76184 | 1 | None | - | 1 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| CHEMBL35471 | 209976 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCS[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 44293812 | 101232 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 645 | 5 | 2 | 4 | 5.9 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Br)c1)N=C2c1ccccc1F | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL299523 | 101232 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 645 | 5 | 2 | 4 | 5.9 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Br)c1)N=C2c1ccccc1F | 10.1016/S0960-894X(96)00609-9 | ||
| 44348651 | 167663 | 0 | None | - | 0 | Bovine | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 952 | 26 | 11 | 11 | 0.6 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCNC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| CHEMBL433647 | 167663 | 0 | None | - | 0 | Bovine | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 952 | 26 | 11 | 11 | 0.6 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCNC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| 9866980 | 4573 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 423 | 3 | 2 | 4 | 4.6 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N3C[C@H](C)N=C23)c1 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL103119 | 4573 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 423 | 3 | 2 | 4 | 4.6 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N3C[C@H](C)N=C23)c1 | 10.1016/0960-894X(95)00530-0 | ||
| 155553502 | 173593 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1822 | 72 | 19 | 22 | 3.0 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4547294 | 173593 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1822 | 72 | 19 | 22 | 3.0 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 21842326 | 120765 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 496 | 8 | 2 | 4 | 5.3 | CCC(CC)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL358000 | 120765 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 496 | 8 | 2 | 4 | 5.3 | CCC(CC)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/0960-894X(95)00556-9 | ||
| 9936789 | 204853 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 529 | 7 | 3 | 8 | 5.3 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(C(=O)OC(C)(C)C)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL8890 | 204853 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 529 | 7 | 3 | 8 | 5.3 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(C(=O)OC(C)(C)C)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 44303664 | 100229 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 661 | 16 | 7 | 7 | 0.3 | CCCC1C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)N(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN)C1 | 10.1016/S0960-894X(01)81005-2 | ||
| CHEMBL292493 | 100229 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 661 | 16 | 7 | 7 | 0.3 | CCCC1C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)N(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN)C1 | 10.1016/S0960-894X(01)81005-2 | ||
| CHEMBL3143186 | 209383 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCC[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00105a068 | ||||
| 52949124 | 861 | 2 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 10623795 | 205543 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 459 | 7 | 3 | 7 | 4.3 | COc1ccccc1NC(=O)NNc1nc2ccccc2c(=O)n1-c1cccc(OC(C)C)c1 | 10.1021/jm970373j | ||
| CHEMBL9319 | 205543 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 459 | 7 | 3 | 7 | 4.3 | COc1ccccc1NC(=O)NNc1nc2ccccc2c(=O)n1-c1cccc(OC(C)C)c1 | 10.1021/jm970373j | ||
| 9960432 | 39172 | 6 | None | 12 | 2 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 605 | 8 | 3 | 5 | 5.0 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm9601664 | ||
| CHEMBL147186 | 39172 | 6 | None | 12 | 2 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 605 | 8 | 3 | 5 | 5.0 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm9601664 | ||
| 46235271 | 73286 | 2 | None | -2 | 2 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL2017835 | 73286 | 2 | None | -2 | 2 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| 15667011 | 96196 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 990 | 29 | 9 | 11 | 2.0 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL263742 | 96196 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 990 | 29 | 9 | 11 | 2.0 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 10102593 | 140961 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1048 | 29 | 10 | 12 | 3.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL384505 | 140961 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1048 | 29 | 10 | 12 | 3.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 44333048 | 168680 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1032 | 28 | 10 | 11 | 3.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1021/jm00072a024 | ||
| CHEMBL441165 | 168680 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1032 | 28 | 10 | 11 | 3.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1021/jm00072a024 | ||
| 44329342 | 107930 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 571 | 7 | 3 | 5 | 5.5 | Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL319882 | 107930 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 571 | 7 | 3 | 5 | 5.5 | Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 | 10.1016/S0960-894X(01)80832-5 | ||
| 10255357 | 18317 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 498 | 5 | 3 | 3 | 5.0 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1021/jm00048a015 | ||
| CHEMBL127397 | 18317 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 498 | 5 | 3 | 3 | 5.0 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1021/jm00048a015 | ||
| 10393441 | 171137 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 580 | 7 | 3 | 3 | 6.5 | CC(C)(NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm00048a015 | ||
| CHEMBL446682 | 171137 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 580 | 7 | 3 | 3 | 6.5 | CC(C)(NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm00048a015 | ||
| 10102593 | 140961 | 1 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 1048 | 29 | 10 | 12 | 3.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL384505 | 140961 | 1 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 1048 | 29 | 10 | 12 | 3.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 14843042 | 127040 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 485 | 5 | 1 | 3 | 6.5 | CCc1cccc(-n2c(CC(C)c3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL36634 | 127040 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 485 | 5 | 1 | 3 | 6.5 | CCc1cccc(-n2c(CC(C)c3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 9983680 | 162760 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 506 | 7 | 2 | 5 | 3.8 | Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL418987 | 162760 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 506 | 7 | 2 | 5 | 3.8 | Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 5311148 | 1857 | 5 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 587 | 8 | 1 | 5 | 5.9 | COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C | 10.1021/jm960249k | ||
| 865 | 1857 | 5 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 587 | 8 | 1 | 5 | 5.9 | COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C | 10.1021/jm960249k | ||
| CHEMBL293226 | 1857 | 5 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 587 | 8 | 1 | 5 | 5.9 | COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C | 10.1021/jm960249k | ||
| CHEMBL3142686 | 209373 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| 44306823 | 201369 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 802 | 20 | 9 | 7 | 2.8 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||
| CHEMBL63707 | 201369 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 802 | 20 | 9 | 7 | 2.8 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||
| 15689733 | 106119 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 870 | 21 | 9 | 10 | 3.0 | COC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1021/jm960509y | ||
| CHEMBL3142905 | 106119 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 870 | 21 | 9 | 10 | 3.0 | COC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1021/jm960509y | ||
| 155515427 | 169371 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1886 | 72 | 17 | 23 | 4.2 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4441596 | 169371 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1886 | 72 | 17 | 23 | 4.2 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL1172246 | 206829 | 0 | None | -1 | 4 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC1=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 21121108 | 81573 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1048 | 29 | 10 | 12 | 3.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL216527 | 81573 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1048 | 29 | 10 | 12 | 3.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 5311148 | 1857 | 5 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 587 | 8 | 1 | 5 | 5.9 | COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C | 10.1021/jm970265x | ||
| 865 | 1857 | 5 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 587 | 8 | 1 | 5 | 5.9 | COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C | 10.1021/jm970265x | ||
| CHEMBL293226 | 1857 | 5 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 587 | 8 | 1 | 5 | 5.9 | COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C | 10.1021/jm970265x | ||
| 14444015 | 106182 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 635 | 15 | 6 | 6 | 3.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)NCc1ccccc1 | 10.1021/jm00123a003 | ||
| CHEMBL3143388 | 106182 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 635 | 15 | 6 | 6 | 3.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)NCc1ccccc1 | 10.1021/jm00123a003 | ||
| 44303224 | 141391 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 933 | 23 | 8 | 11 | 2.8 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C/c1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL387073 | 141391 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 933 | 23 | 8 | 11 | 2.8 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C/c1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44349393 | 16640 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 422 | 7 | 3 | 3 | 4.3 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCCCCC1 | 10.1021/jm00079a003 | ||
| CHEMBL124764 | 16640 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 422 | 7 | 3 | 3 | 4.3 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCCCCC1 | 10.1021/jm00079a003 | ||
| CHEMBL285051 | 209107 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | None | None | None | CS[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| CHEMBL37786 | 210501 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | None | None | None | CS[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 44382805 | 58885 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 536 | 9 | 3 | 5 | 3.4 | CC(C)C[C@H](NC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 | 10.1016/S0960-894X(01)80253-5 | ||
| CHEMBL170197 | 58885 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 536 | 9 | 3 | 5 | 3.4 | CC(C)C[C@H](NC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 | 10.1016/S0960-894X(01)80253-5 | ||
| 44306888 | 101847 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 816 | 18 | 9 | 7 | 3.4 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||
| CHEMBL303635 | 101847 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 816 | 18 | 9 | 7 | 3.4 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||
| 44408590 | 161165 | 0 | None | - | 2 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 1134 | 30 | 12 | 15 | 2.6 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL413644 | 161165 | 0 | None | - | 2 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 1134 | 30 | 12 | 15 | 2.6 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| 44418923 | 161224 | 0 | None | - | 2 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL414087 | 161224 | 0 | None | - | 2 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| 44375063 | 54820 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 554 | 10 | 6 | 7 | 4.0 | O=C(O)c1ccc(NS(=O)(=O)c2ccc(N/N=C(/S)NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)cc1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL161703 | 54820 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 554 | 10 | 6 | 7 | 4.0 | O=C(O)c1ccc(NS(=O)(=O)c2ccc(N/N=C(/S)NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)cc1 | 10.1016/s0960-894x(01)00044-0 | ||
| 14444011 | 106183 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)C[C@@H](CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| CHEMBL3143393 | 106183 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)C[C@@H](CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| 44366341 | 118802 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 649 | 16 | 6 | 6 | 3.8 | CC(C)C[C@@H](CC(=O)NC(CC(=O)O)C(=O)NCCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| CHEMBL344125 | 118802 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 649 | 16 | 6 | 6 | 3.8 | CC(C)C[C@@H](CC(=O)NC(CC(=O)O)C(=O)NCCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| 15104627 | 109976 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| CHEMBL324760 | 109976 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| 44341327 | 162768 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 504 | 13 | 3 | 2 | 6.3 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2cc(F)ccc2[nH]1 | 10.1021/jm00116a002 | ||
| CHEMBL419031 | 162768 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 504 | 13 | 3 | 2 | 6.3 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2cc(F)ccc2[nH]1 | 10.1021/jm00116a002 | ||
| 14991537 | 106300 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 921 | 24 | 9 | 11 | 2.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1cccc(OS(=O)(=O)O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144535 | 106300 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 921 | 24 | 9 | 11 | 2.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1cccc(OS(=O)(=O)O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 14991543 | 106310 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 839 | 22 | 8 | 8 | 3.5 | Cc1ccc(CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm00089a010 | ||
| CHEMBL3144544 | 106310 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 839 | 22 | 8 | 8 | 3.5 | Cc1ccc(CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm00089a010 | ||
| 14991566 | 167659 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 831 | 22 | 8 | 8 | 3.9 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL433636 | 167659 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 831 | 22 | 8 | 8 | 3.9 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 10391834 | 37975 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 516 | 11 | 3 | 4 | 4.5 | CC(C)N(C(=O)CN(C(=O)[C@@H](CCC(=O)O)NC(=O)Nc1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(97)00062-0 | ||
| CHEMBL146206 | 37975 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 516 | 11 | 3 | 4 | 4.5 | CC(C)N(C(=O)CN(C(=O)[C@@H](CCC(=O)O)NC(=O)Nc1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(97)00062-0 | ||
| 10556460 | 205002 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 677 | 10 | 0 | 6 | 7.4 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(Cc4ccccc4)c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm960249k | ||
| CHEMBL89953 | 205002 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 677 | 10 | 0 | 6 | 7.4 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(Cc4ccccc4)c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm960249k | ||
| 44306360 | 157321 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 816 | 18 | 9 | 7 | 3.4 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||
| CHEMBL408395 | 157321 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 816 | 18 | 9 | 7 | 3.4 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||
| 10556460 | 205002 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 677 | 10 | 0 | 6 | 7.4 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(Cc4ccccc4)c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL89953 | 205002 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 677 | 10 | 0 | 6 | 7.4 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(Cc4ccccc4)c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| 14444013 | 106184 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)C[C@H](CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| CHEMBL3143394 | 106184 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)C[C@H](CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| 44341429 | 109950 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 498 | 13 | 2 | 3 | 6.3 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2n1 | 10.1021/jm00116a002 | ||
| CHEMBL324652 | 109950 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 498 | 13 | 2 | 3 | 6.3 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2n1 | 10.1021/jm00116a002 | ||
| 15167797 | 31426 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 403 | 5 | 2 | 4 | 4.4 | O=C(NCC1CNc2ccccc2C(c2ccccc2F)=N1)OCc1ccccc1 | 10.1021/jm00163a069 | ||
| CHEMBL140495 | 31426 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 403 | 5 | 2 | 4 | 4.4 | O=C(NCC1CNc2ccccc2C(c2ccccc2F)=N1)OCc1ccccc1 | 10.1021/jm00163a069 | ||
| 20190196 | 31557 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 3.3 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)c1cccnc1 | 10.1021/jm00163a069 | ||
| CHEMBL140620 | 31557 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 3.3 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)c1cccnc1 | 10.1021/jm00163a069 | ||
| 15614749 | 32014 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 393 | 4 | 2 | 4 | 3.5 | O=C(NCC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccsc1 | 10.1021/jm00163a069 | ||
| CHEMBL140984 | 32014 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 393 | 4 | 2 | 4 | 3.5 | O=C(NCC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccsc1 | 10.1021/jm00163a069 | ||
| 44359880 | 32098 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 428 | 7 | 2 | 5 | 2.4 | CC(=O)NCSCC(=O)NCC1CN=C(c2ccccc2F)c2ccccc2N1C | 10.1021/jm00163a069 | ||
| CHEMBL141048 | 32098 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 428 | 7 | 2 | 5 | 2.4 | CC(=O)NCSCC(=O)NCC1CN=C(c2ccccc2F)c2ccccc2N1C | 10.1021/jm00163a069 | ||
| 19766234 | 32105 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.6 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNc1cccc(C(F)(F)F)c1 | 10.1021/jm00163a069 | ||
| CHEMBL141051 | 32105 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.6 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNc1cccc(C(F)(F)F)c1 | 10.1021/jm00163a069 | ||
| 20063245 | 114830 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 417 | 5 | 2 | 4 | 3.9 | O=C(NCC1N=C(c2ccccc2F)c2ccccc2NC1=O)OCc1ccccc1 | 10.1021/jm00163a069 | ||
| CHEMBL334933 | 114830 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 417 | 5 | 2 | 4 | 3.9 | O=C(NCC1N=C(c2ccccc2F)c2ccccc2NC1=O)OCc1ccccc1 | 10.1021/jm00163a069 | ||
| 44359840 | 164885 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 395 | 4 | 2 | 5 | 3.5 | O=C1Nc2ccccc2C(c2ccccc2F)=NC1CNc1cnc(Cl)cn1 | 10.1021/jm00163a069 | ||
| CHEMBL423918 | 164885 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 395 | 4 | 2 | 5 | 3.5 | O=C1Nc2ccccc2C(c2ccccc2F)=NC1CNc1cnc(Cl)cn1 | 10.1021/jm00163a069 | ||
| 44370505 | 50990 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 543 | 10 | 2 | 4 | 6.3 | O=C(CC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N(C1CCCCC1)C1CCCCC1)OCc1ccccc1 | 10.1021/jm00164a020 | ||
| CHEMBL158078 | 50990 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 543 | 10 | 2 | 4 | 6.3 | O=C(CC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N(C1CCCCC1)C1CCCCC1)OCc1ccccc1 | 10.1021/jm00164a020 | ||
| 44280270 | 98748 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 601 | 10 | 2 | 4 | 5.2 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL281560 | 98748 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 601 | 10 | 2 | 4 | 5.2 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| 44280193 | 102643 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 672 | 13 | 3 | 5 | 5.1 | CN(Cc1ccccc1)C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL30784 | 102643 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 672 | 13 | 3 | 5 | 5.1 | CN(Cc1ccccc1)C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 10474221 | 16655 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 368 | 8 | 3 | 3 | 2.9 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL124822 | 16655 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 368 | 8 | 3 | 3 | 2.9 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| 44281084 | 112182 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 497 | 8 | 3 | 4 | 3.3 | O=C(O)CNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL33043 | 112182 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 497 | 8 | 3 | 4 | 3.3 | O=C(O)CNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 10482726 | 25921 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 551 | 7 | 3 | 4 | 5.0 | O=C(CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21)NCc1ccccc1 | 10.1021/jm00078a018 | ||
| CHEMBL135638 | 25921 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 551 | 7 | 3 | 4 | 5.0 | O=C(CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21)NCc1ccccc1 | 10.1021/jm00078a018 | ||
| 44349278 | 16414 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 388 | 10 | 3 | 3 | 3.3 | CCCCCNC(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL124090 | 16414 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 388 | 10 | 3 | 3 | 3.3 | CCCCCNC(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00079a003 | ||
| 44349412 | 16671 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 396 | 12 | 3 | 3 | 3.6 | CCCCC(CC)CNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL124917 | 16671 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 396 | 12 | 3 | 3 | 3.6 | CCCCC(CC)CNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| 44382371 | 119982 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 436 | 5 | 2 | 4 | 2.8 | COc1cccc(NC(=O)N[C@@H]2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL354442 | 119982 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 436 | 5 | 2 | 4 | 2.8 | COc1cccc(NC(=O)N[C@@H]2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 44281292 | 114283 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 816 | 17 | 5 | 9 | 5.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33398 | 114283 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 816 | 17 | 5 | 9 | 5.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44357198 | 114726 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 478 | 6 | 4 | 5 | 3.0 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)CO)C1=O | 10.1021/jm00078a018 | ||
| CHEMBL334735 | 114726 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 478 | 6 | 4 | 5 | 3.0 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)CO)C1=O | 10.1021/jm00078a018 | ||
| 10603714 | 155965 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 605 | 8 | 1 | 5 | 6.0 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4c(F)cccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL406790 | 155965 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 605 | 8 | 1 | 5 | 6.0 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4c(F)cccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| 44349325 | 167972 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 465 | 7 | 3 | 4 | 3.1 | O=C(O)CCC(NC(=O)c1cccc(Br)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL435587 | 167972 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 465 | 7 | 3 | 4 | 3.1 | O=C(O)CCC(NC(=O)c1cccc(Br)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44280380 | 99366 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 553 | 11 | 3 | 4 | 4.8 | CCCCC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL285657 | 99366 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 553 | 11 | 3 | 4 | 4.8 | CCCCC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 44283087 | 120298 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 500 | 8 | 2 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)OCCc1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL35580 | 120298 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 500 | 8 | 2 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)OCCc1ccccc1 | 10.1021/jm00086a017 | ||
| 10249484 | 22438 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 3 | 2 | 4 | 3.0 | CN1C(=O)C(NC(=O)Nc2ccncc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL132699 | 22438 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 3 | 2 | 4 | 3.0 | CN1C(=O)C(NC(=O)Nc2ccncc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10646538 | 96905 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 435 | 6 | 3 | 6 | 4.1 | CC(C)Oc1cccc(-n2c(NNC(=O)NC3CCCCC3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL269606 | 96905 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 435 | 6 | 3 | 6 | 4.1 | CC(C)Oc1cccc(-n2c(NNC(=O)NC3CCCCC3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 44280244 | 13100 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 695 | 12 | 4 | 6 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2cccnc12 | 10.1021/jm950372w | ||
| CHEMBL1191257 | 13100 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 695 | 12 | 4 | 6 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2cccnc12 | 10.1021/jm950372w | ||
| CHEMBL542330 | 13100 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 695 | 12 | 4 | 6 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2cccnc12 | 10.1021/jm950372w | ||
| 44283055 | 99282 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 515 | 9 | 4 | 4 | 4.4 | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)Cc1ccccc1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL285049 | 99282 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 515 | 9 | 4 | 4 | 4.4 | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)Cc1ccccc1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 44283150 | 164682 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 529 | 9 | 3 | 4 | 4.7 | CN(C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(CO)Cc1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL422941 | 164682 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 529 | 9 | 3 | 4 | 4.7 | CN(C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(CO)Cc1ccccc1 | 10.1021/jm00086a017 | ||
| 44283514 | 170040 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 585 | 12 | 3 | 4 | 6.0 | CC(Cc1c[nH]c2ccccc12)(CN(CCc1ccccc1)C(=O)CCC(=O)O)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL445094 | 170040 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 585 | 12 | 3 | 4 | 6.0 | CC(Cc1c[nH]c2ccccc12)(CN(CCc1ccccc1)C(=O)CCC(=O)O)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 10738855 | 204875 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 4 | 3 | 5 | 3.8 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccccc2)c1 | 10.1021/jm970373j | ||
| CHEMBL8905 | 204875 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 4 | 3 | 5 | 3.8 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccccc2)c1 | 10.1021/jm970373j | ||
| 44382038 | 119941 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 420 | 4 | 2 | 3 | 3.1 | Cc1cccc(NC(=O)N[C@@H]2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL354040 | 119941 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 420 | 4 | 2 | 3 | 3.1 | Cc1cccc(NC(=O)N[C@@H]2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 443375 | 205862 | 40 | None | -389 | 5 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/0960-894X(96)00160-6 | ||
| CHEMBL9506 | 205862 | 40 | None | -389 | 5 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/0960-894X(96)00160-6 | ||
| CHEMBL408083 | 210941 | 0 | None | -3 | 4 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 16100406 | 82797 | 0 | None | -281 | 4 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL218600 | 82797 | 0 | None | -281 | 4 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| 10551234 | 96480 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 443 | 6 | 3 | 6 | 4.6 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL266120 | 96480 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 443 | 6 | 3 | 6 | 4.6 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 | 10.1021/jm970373j | ||
| 10455303 | 114708 | 6 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 429 | 4 | 2 | 5 | 3.6 | CN1C(=O)C(NC(=O)Nc2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL334592 | 114708 | 6 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 429 | 4 | 2 | 5 | 3.6 | CN1C(=O)C(NC(=O)Nc2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10005779 | 116151 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.8 | CCNC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL337065 | 116151 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.8 | CCNC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44280996 | 99270 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 745 | 14 | 4 | 8 | 5.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL284976 | 99270 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 745 | 14 | 4 | 8 | 5.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 11555184 | 165468 | 0 | None | - | 3 | Dog | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 7 | 3 | 3 | 7.0 | Cc1ccc(NC(=O)c2[nH]c(C3(C)CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm0490686 | ||
| CHEMBL425574 | 165468 | 0 | None | - | 3 | Dog | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 7 | 3 | 3 | 7.0 | Cc1ccc(NC(=O)c2[nH]c(C3(C)CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm0490686 | ||
| 145990693 | 166409 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 465 | 6 | 3 | 6 | 4.8 | CCOc1ccc(-n2c(NNC(=S)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 | 10.1039/C7MD00171A | ||
| CHEMBL4287572 | 166409 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 465 | 6 | 3 | 6 | 4.8 | CCOc1ccc(-n2c(NNC(=S)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 | 10.1039/C7MD00171A | ||
| 44333305 | 4967 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 4 | 2 | 5 | 3.6 | CCCN1C(=O)C(NC(=O)Nc2cccc(C(F)(F)F)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL105273 | 4967 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 4 | 2 | 5 | 3.6 | CCCN1C(=O)C(NC(=O)Nc2cccc(C(F)(F)F)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| 44210424 | 118700 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 423 | 4 | 2 | 4 | 3.8 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL34335 | 118700 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 423 | 4 | 2 | 4 | 3.8 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 73351320 | 105653 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 681 | 12 | 5 | 5 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNC(=O)C(F)(F)F)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL313559 | 105653 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 681 | 12 | 5 | 5 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNC(=O)C(F)(F)F)c1ccccc1 | 10.1021/jm00092a007 | ||
| 14843036 | 99685 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 413 | 5 | 1 | 4 | 4.8 | COc1cccc(-n2c(CCc3c[nH]c4ccc(F)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL287914 | 99685 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 413 | 5 | 1 | 4 | 4.8 | COc1cccc(-n2c(CCc3c[nH]c4ccc(F)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 14843048 | 116729 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| CHEMBL33948 | 116729 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| 44210424 | 118700 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 423 | 4 | 2 | 4 | 3.8 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00234-K | ||
| CHEMBL34335 | 118700 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 423 | 4 | 2 | 4 | 3.8 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00234-K | ||
| 44279809 | 98497 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 785 | 18 | 4 | 7 | 6.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL279778 | 98497 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 785 | 18 | 4 | 7 | 6.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL319814 | 209467 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| 15689734 | 106114 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 854 | 21 | 9 | 9 | 3.5 | CC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1021/jm960509y | ||
| CHEMBL3142899 | 106114 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 854 | 21 | 9 | 9 | 3.5 | CC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1021/jm960509y | ||
| CHEMBL319814 | 209467 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00173a006 | ||||
| 44381201 | 161115 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1062 | 29 | 9 | 12 | 3.6 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)CCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL413186 | 161115 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1062 | 29 | 9 | 12 | 3.6 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)CCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 14843041 | 124509 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 6.0 | CCc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL36436 | 124509 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 6.0 | CCc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 73354298 | 96210 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL263876 | 96210 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 10031700 | 12069 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.7 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC[N+](C)(C)C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL1184246 | 12069 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.7 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC[N+](C)(C)C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL340975 | 12069 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.7 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC[N+](C)(C)C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 10070678 | 120229 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL355092 | 120229 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44334452 | 4476 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 497 | 9 | 2 | 3 | 5.6 | Cc1cccc(NC(=O)N[C@H](CCCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL102461 | 4476 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 497 | 9 | 2 | 3 | 5.6 | Cc1cccc(NC(=O)N[C@H](CCCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 15689738 | 106108 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 862 | 20 | 9 | 8 | 4.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142705 | 106108 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 862 | 20 | 9 | 8 | 4.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 10320031 | 77457 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL2092868 | 77457 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| 14208307 | 77456 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 513 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@@H](NC(=O)c2ccccc2I)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL2092867 | 77456 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 513 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@@H](NC(=O)c2ccccc2I)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14208216 | 102217 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 393 | 3 | 1 | 4 | 3.5 | CN1C(=O)C(NC(=O)c2ccsc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL304768 | 102217 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 393 | 3 | 1 | 4 | 3.5 | CN1C(=O)C(NC(=O)c2ccsc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14208210 | 202493 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 413 | 3 | 2 | 4 | 4.1 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2o1 | 10.1021/jm00120a002 | ||
| CHEMBL70856 | 202493 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 413 | 3 | 2 | 4 | 4.1 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2o1 | 10.1021/jm00120a002 | ||
| 44375135 | 52463 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 520 | 12 | 6 | 7 | 2.7 | O=C(O)CCCNS(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL159469 | 52463 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 520 | 12 | 6 | 7 | 2.7 | O=C(O)CCCNS(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| 15104606 | 9351 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 497 | 13 | 2 | 2 | 6.9 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 | 10.1021/jm00116a002 | ||
| CHEMBL111837 | 9351 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 497 | 13 | 2 | 2 | 6.9 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 | 10.1021/jm00116a002 | ||
| 10364355 | 27728 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 412 | 4 | 2 | 3 | 3.9 | C[C@H](NC(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O)c1ccccc1 | 10.1021/jm00078a018 | ||
| CHEMBL137208 | 27728 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 412 | 4 | 2 | 3 | 3.9 | C[C@H](NC(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O)c1ccccc1 | 10.1021/jm00078a018 | ||
| 15200522 | 119949 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 422 | 4 | 2 | 3 | 3.7 | CN1C(=O)C(NC(=O)Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL354126 | 119949 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 422 | 4 | 2 | 3 | 3.7 | CN1C(=O)C(NC(=O)Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| 44382008 | 58726 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL169438 | 58726 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80684-8 | ||
| 44280502 | 98914 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 672 | 14 | 4 | 5 | 4.8 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCc1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL282639 | 98914 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 672 | 14 | 4 | 5 | 4.8 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCc1ccccc1 | 10.1021/jm950372w | ||
| 10253714 | 25275 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 460 | 4 | 2 | 3 | 5.3 | CN1C(=O)C(NC(=O)Nc2cccc(-c3ccccc3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL135060 | 25275 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 460 | 4 | 2 | 3 | 5.3 | CN1C(=O)C(NC(=O)Nc2cccc(-c3ccccc3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10722103 | 110973 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 588 | 8 | 1 | 6 | 5.3 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ncccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL327656 | 110973 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 588 | 8 | 1 | 6 | 5.3 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ncccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| 44327456 | 206097 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 585 | 11 | 2 | 5 | 5.7 | COC(=O)CCN(CCc1ccccc1)C(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL96401 | 206097 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 585 | 11 | 2 | 5 | 5.7 | COC(=O)CCN(CCc1ccccc1)C(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1016/S0960-894X(01)80769-1 | ||
| 155560670 | 174510 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1886 | 72 | 17 | 23 | 4.2 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4568746 | 174510 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1886 | 72 | 17 | 23 | 4.2 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 44279810 | 103354 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 757 | 16 | 4 | 7 | 5.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30917 | 103354 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 757 | 16 | 4 | 7 | 5.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 73354298 | 96210 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL263876 | 96210 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 10074366 | 120074 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3349028 | 120074 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3545866 | 120074 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 44329518 | 206583 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 560 | 6 | 3 | 3 | 6.2 | Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL99311 | 206583 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 560 | 6 | 3 | 3 | 6.2 | Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 | 10.1016/S0960-894X(01)80832-5 | ||
| 10622006 | 205027 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 419 | 4 | 3 | 5 | 4.5 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 | 10.1021/jm970373j | ||
| CHEMBL9010 | 205027 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 419 | 4 | 3 | 5 | 4.5 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 | 10.1021/jm970373j | ||
| 44382327 | 59030 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 436 | 5 | 2 | 4 | 2.8 | COc1cccc(NC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL170777 | 59030 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 436 | 5 | 2 | 4 | 2.8 | COc1cccc(NC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 44283515 | 99699 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 516 | 8 | 2 | 4 | 6.5 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)SCCc1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL288038 | 99699 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 516 | 8 | 2 | 4 | 6.5 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)SCCc1ccccc1 | 10.1021/jm00086a017 | ||
| 44280000 | 102765 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 525 | 10 | 3 | 4 | 4.0 | O=C(O)CCCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL30844 | 102765 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 525 | 10 | 3 | 4 | 4.0 | O=C(O)CCCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 10319892 | 58767 | 2 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL169661 | 58767 | 2 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL2386884 | 208641 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C#CCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cn(CC(=O)NCCCC(CCCNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)(NC(=O)CNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)C(=O)NCCC(N)=O)nn1 | 10.1016/j.bmcl.2013.02.022 | ||||
| 10010811 | 106113 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 854 | 21 | 9 | 9 | 3.5 | CC(=O)c1ccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm960509y | ||
| CHEMBL3142898 | 106113 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 854 | 21 | 9 | 9 | 3.5 | CC(=O)c1ccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm960509y | ||
| 73349791 | 204083 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 664 | 13 | 5 | 6 | 5.2 | CCOP(=O)(O)CC(=O)N[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL83244 | 204083 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 664 | 13 | 5 | 6 | 5.2 | CCOP(=O)(O)CC(=O)N[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 | 10.1021/jm00092a007 | ||
| 73348230 | 204629 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 634 | 11 | 5 | 5 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(C)(=O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL87470 | 204629 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 634 | 11 | 5 | 5 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(C)(=O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| 73346731 | 81120 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL216079 | 81120 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 10647112 | 162859 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 3 | 3 | 4 | 4.1 | Cc1cccc(NC(=O)N[C@@H]2N=C([C@H]3CCC(C)(C)CCN3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9608523 | ||
| CHEMBL419663 | 162859 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 3 | 3 | 4 | 4.1 | Cc1cccc(NC(=O)N[C@@H]2N=C([C@H]3CCC(C)(C)CCN3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9608523 | ||
| 9896825 | 102491 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 742 | 14 | 6 | 10 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30656 | 102491 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 742 | 14 | 6 | 10 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 10319892 | 58767 | 2 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL169661 | 58767 | 2 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| 9805700 | 118637 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 492 | 6 | 3 | 4 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCCCC1 | 10.1021/jm970065l | ||
| CHEMBL342932 | 118637 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 492 | 6 | 3 | 4 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCCCC1 | 10.1021/jm970065l | ||
| 19766169 | 165003 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 443 | 4 | 2 | 4 | 4.2 | CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)CCc2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL424211 | 165003 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 443 | 4 | 2 | 4 | 4.2 | CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)CCc2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| 14208237 | 202503 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 498 | 6 | 2 | 5 | 3.8 | CCOC(=O)CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL70883 | 202503 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 498 | 6 | 2 | 5 | 3.8 | CCOC(=O)CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14991586 | 100159 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 838 | 21 | 7 | 9 | 3.0 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C/c1cccnc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL292071 | 100159 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 838 | 21 | 7 | 9 | 3.0 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C/c1cccnc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44334248 | 4597 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 528 | 8 | 3 | 5 | 4.9 | Cc1cccc(NC(=O)N[C@H](COC(=O)Nc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL103312 | 4597 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 528 | 8 | 3 | 5 | 4.9 | Cc1cccc(NC(=O)N[C@H](COC(=O)Nc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL262767 | 208793 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | Cc1ccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm00113a023 | ||||
| 44382486 | 59093 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 518 | 11 | 4 | 4 | 2.8 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||
| CHEMBL171051 | 59093 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 518 | 11 | 4 | 4 | 2.8 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||
| 11803697 | 106121 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 857 | 21 | 9 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm960509y | ||
| 136898911 | 106121 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 857 | 21 | 9 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm960509y | ||
| CHEMBL3142912 | 106121 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 857 | 21 | 9 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm960509y | ||
| CHEMBL262767 | 208793 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | Cc1ccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm960509y | ||||
| CHEMBL262767 | 208793 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | Cc1ccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm00173a006 | ||||
| 44311939 | 202780 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 530 | 6 | 2 | 5 | 4.2 | CN1C(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL72526 | 202780 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 530 | 6 | 2 | 5 | 4.2 | CN1C(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44377790 | 119464 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 678 | 16 | 7 | 7 | 2.5 | CC(C)C[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(Cc1ccccc1)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00388a002 | ||
| CHEMBL349888 | 119464 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 678 | 16 | 7 | 7 | 2.5 | CC(C)C[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(Cc1ccccc1)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00388a002 | ||
| 73346732 | 169343 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL444113 | 169343 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 11742520 | 29398 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 414 | 4 | 2 | 4 | 3.7 | COc1ccccc1NC(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O | 10.1021/jm00078a018 | ||
| CHEMBL138592 | 29398 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 414 | 4 | 2 | 4 | 3.7 | COc1ccccc1NC(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O | 10.1021/jm00078a018 | ||
| 10094138 | 167756 | 6 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 429 | 4 | 2 | 5 | 3.6 | CN1C(=O)C(NC(=O)Nc2ccccc2[N+](=O)[O-])N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL434255 | 167756 | 6 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 429 | 4 | 2 | 5 | 3.6 | CN1C(=O)C(NC(=O)Nc2ccccc2[N+](=O)[O-])N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 14991569 | 98330 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 863 | 20 | 9 | 9 | 3.7 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccc2cc(O)ccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL278447 | 98330 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 863 | 20 | 9 | 9 | 3.7 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccc2cc(O)ccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44349011 | 116347 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 8 | 4 | 3 | 2.7 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00079a003 | ||
| CHEMBL338134 | 116347 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 8 | 4 | 3 | 2.7 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00079a003 | ||
| 44349070 | 163928 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 421 | 7 | 3 | 4 | 3.0 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL421438 | 163928 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 421 | 7 | 3 | 4 | 3.0 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 13822916 | 189124 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 421 | 3 | 1 | 4 | 5.3 | Cc1nnc2n1-c1ccccc1C(c1ccccc1F)=N[C@@H]2Cc1c[nH]c2ccccc12 | 10.1021/jm00396a028 | ||
| CHEMBL51569 | 189124 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 421 | 3 | 1 | 4 | 5.3 | Cc1nnc2n1-c1ccccc1C(c1ccccc1F)=N[C@@H]2Cc1c[nH]c2ccccc12 | 10.1021/jm00396a028 | ||
| 44381202 | 161270 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 1139 | 31 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL414523 | 161270 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 1139 | 31 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 15104594 | 10013 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 498 | 13 | 2 | 3 | 6.3 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| CHEMBL115656 | 10013 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 498 | 13 | 2 | 3 | 6.3 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| 11729474 | 4588 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 420 | 2 | 2 | 5 | 2.1 | Cc1cccc(NC(=O)NC2N=C(N3CCN(C)CC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL103229 | 4588 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 420 | 2 | 2 | 5 | 2.1 | Cc1cccc(NC(=O)NC2N=C(N3CCN(C)CC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00530-0 | ||
| 44396746 | 126526 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 637 | 8 | 2 | 6 | 5.7 | C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| CHEMBL365620 | 126526 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 637 | 8 | 2 | 6 | 5.7 | C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| 10839347 | 30032 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 507 | 7 | 4 | 4 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CO)CCCCC1 | 10.1021/jm970065l | ||
| CHEMBL139101 | 30032 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 507 | 7 | 4 | 4 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CO)CCCCC1 | 10.1021/jm970065l | ||
| 44280992 | 99644 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 678 | 12 | 4 | 5 | 5.5 | CC1(C)CCC(NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL287564 | 99644 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 678 | 12 | 4 | 5 | 5.5 | CC1(C)CCC(NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1021/jm950372w | ||
| 44283081 | 99396 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 500 | 9 | 3 | 3 | 6.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(O)CCCc1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL2112071 | 99396 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 500 | 9 | 3 | 3 | 6.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(O)CCCc1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL285880 | 99396 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 500 | 9 | 3 | 3 | 6.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(O)CCCc1ccccc1 | 10.1021/jm00086a017 | ||
| 10761732 | 75578 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 371 | 4 | 3 | 5 | 3.5 | O=C(NNc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccccc1 | 10.1021/jm970373j | ||
| CHEMBL2051984 | 75578 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 371 | 4 | 3 | 5 | 3.5 | O=C(NNc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccccc1 | 10.1021/jm970373j | ||
| 44283246 | 99487 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 527 | 8 | 2 | 4 | 6.8 | O=C(NC(Cc1c[nH]c2ccccc12)C1CN=C(CCc2ccccc2)S1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL286442 | 99487 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 527 | 8 | 2 | 4 | 6.8 | O=C(NC(Cc1c[nH]c2ccccc12)C1CN=C(CCc2ccccc2)S1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 44303515 | 101610 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 571 | 9 | 2 | 5 | 5.3 | CN(C)C(=O)c1oc2ccccc2c1CC(C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL302194 | 101610 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 571 | 9 | 2 | 5 | 5.3 | CN(C)C(=O)c1oc2ccccc2c1CC(C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 49798104 | 10729 | 0 | None | 7 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1381 | 39 | 14 | 13 | 3.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||
| CHEMBL1172244 | 10729 | 0 | None | 7 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1381 | 39 | 14 | 13 | 3.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||
| CHEMBL1172249 | 206830 | 0 | None | -16 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| CHEMBL1172252 | 206832 | 0 | None | -173 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| CHEMBL1172253 | 206833 | 0 | None | -851 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 44283152 | 99379 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 501 | 10 | 4 | 4 | 4.8 | O=C(NC(CNC(CO)Cc1ccccc1)Cc1c[nH]c2ccccc12)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL285762 | 99379 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 501 | 10 | 4 | 4 | 4.8 | O=C(NC(CNC(CO)Cc1ccccc1)Cc1c[nH]c2ccccc12)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 44381892 | 12155 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 510 | 9 | 2 | 4 | 3.7 | CN(C)CCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL1184772 | 12155 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 510 | 9 | 2 | 4 | 3.7 | CN(C)CCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL368133 | 12155 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 510 | 9 | 2 | 4 | 3.7 | CN(C)CCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| 44279985 | 102616 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 511 | 8 | 3 | 4 | 3.6 | CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30764 | 102616 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 511 | 8 | 3 | 4 | 3.6 | CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 11755707 | 57203 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 4.7 | CCOC(=O)c1cccc(NC(=O)NCc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 | 10.1016/S0960-894X(97)00108-X | ||
| CHEMBL166168 | 57203 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 4.7 | CCOC(=O)c1cccc(NC(=O)NCc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 | 10.1016/S0960-894X(97)00108-X | ||
| 10074366 | 120074 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3349028 | 120074 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3545866 | 120074 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 44396624 | 123355 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 559 | 7 | 2 | 6 | 4.7 | C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)C12 | 10.1021/jm0498755 | ||
| CHEMBL362769 | 123355 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 559 | 7 | 2 | 6 | 4.7 | C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)C12 | 10.1021/jm0498755 | ||
| 155514432 | 169287 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 2121 | 86 | 19 | 27 | 2.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4440303 | 169287 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 2121 | 86 | 19 | 27 | 2.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 10531430 | 111842 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 587 | 8 | 1 | 5 | 5.9 | COc1ccccc1N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)C(C)C | 10.1021/jm970265x | ||
| CHEMBL329407 | 111842 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 587 | 8 | 1 | 5 | 5.9 | COc1ccccc1N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)C(C)C | 10.1021/jm970265x | ||
| 10349938 | 162357 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 722 | 14 | 4 | 6 | 6.7 | CC(Cc1c[nH]c2ccc(F)cc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)OCc1ccccc1)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL417412 | 162357 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 722 | 14 | 4 | 6 | 6.7 | CC(Cc1c[nH]c2ccc(F)cc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)OCc1ccccc1)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 44279938 | 162063 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 637 | 10 | 3 | 4 | 6.0 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1ccc2ccccc2c1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL416944 | 162063 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 637 | 10 | 3 | 4 | 6.0 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1ccc2ccccc2c1)C(=O)O | 10.1021/jm950372w | ||
| 44386117 | 130816 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 541 | 9 | 4 | 4 | 5.3 | O=C(O)C[C@H](Cc1ccccc1)NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(00)80273-5 | ||
| CHEMBL368803 | 130816 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 541 | 9 | 4 | 4 | 5.3 | O=C(O)C[C@H](Cc1ccccc1)NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(00)80273-5 | ||
| 44333048 | 168680 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1032 | 28 | 10 | 11 | 3.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1021/jm00072a024 | ||
| CHEMBL441165 | 168680 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1032 | 28 | 10 | 11 | 3.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1021/jm00072a024 | ||
| 73349806 | 95982 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL262155 | 95982 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 44348764 | 168056 | 0 | None | - | 0 | Bovine | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 980 | 28 | 11 | 11 | 1.4 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| CHEMBL436199 | 168056 | 0 | None | - | 0 | Bovine | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 980 | 28 | 11 | 11 | 1.4 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| 10052234 | 67405 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1021/jm00078a018 | ||
| CHEMBL1907927 | 67405 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 515 | 5 | 2 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1021/jm00078a018 | ||
| 44368541 | 168040 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 590 | 13 | 5 | 5 | 4.5 | C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL436065 | 168040 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 590 | 13 | 5 | 5 | 4.5 | C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 73349872 | 88757 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 616 | 12 | 5 | 5 | 5.2 | CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1016/S0960-894X(97)00107-8 | ||
| CHEMBL2367718 | 88757 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 616 | 12 | 5 | 5 | 5.2 | CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1016/S0960-894X(97)00107-8 | ||
| CHEMBL2367719 | 88757 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 616 | 12 | 5 | 5 | 5.2 | CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1016/S0960-894X(97)00107-8 | ||
| 10370499 | 36706 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL145133 | 36706 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 10370499 | 36706 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)O)Cc1ccccc1 | 10.1016/s0960-894x(98)00677-5 | ||
| CHEMBL145133 | 36706 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)O)Cc1ccccc1 | 10.1016/s0960-894x(98)00677-5 | ||
| 10370499 | 85549 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL2304064 | 85549 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 155517868 | 169633 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1893 | 76 | 19 | 24 | 3.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4445353 | 169633 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1893 | 76 | 19 | 24 | 3.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 9887120 | 202417 | 3 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00121a004 | ||
| CHEMBL70380 | 202417 | 3 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00121a004 | ||
| 10324540 | 16398 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 5 | 3 | 3 | 5.8 | CC(C)(C)NC(=O)CN1C(=O)[C@@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](C2CCCCC2)c2ccccc21 | 10.1021/jm00048a015 | ||
| CHEMBL123981 | 16398 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 5 | 3 | 3 | 5.8 | CC(C)(C)NC(=O)CN1C(=O)[C@@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](C2CCCCC2)c2ccccc21 | 10.1021/jm00048a015 | ||
| 14843054 | 119446 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 503 | 6 | 1 | 5 | 5.4 | COc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1OC | 10.1021/jm00108a040 | ||
| CHEMBL34979 | 119446 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 503 | 6 | 1 | 5 | 5.4 | COc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1OC | 10.1021/jm00108a040 | ||
| 44356972 | 27434 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 555 | 7 | 3 | 7 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)ON3CCC[C@@H]3C(=O)O)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL136990 | 27434 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 555 | 7 | 3 | 7 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)ON3CCC[C@@H]3C(=O)O)C2=O)c1 | 10.1021/jm00078a018 | ||
| 15689734 | 106114 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 854 | 21 | 9 | 9 | 3.5 | CC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1021/jm00113a023 | ||
| CHEMBL3142899 | 106114 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 854 | 21 | 9 | 9 | 3.5 | CC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1021/jm00113a023 | ||
| 15167816 | 202781 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 4.0 | CCOC(=O)CN1C(=O)C(NC(=O)c2ccccc2Cl)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL72546 | 202781 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 4.0 | CCOC(=O)CN1C(=O)C(NC(=O)c2ccccc2Cl)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44382561 | 167732 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 662 | 13 | 5 | 5 | 5.8 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCc1ccc(O)cc1 | 10.1016/S0960-894X(00)80687-3 | ||
| CHEMBL434113 | 167732 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 662 | 13 | 5 | 5 | 5.8 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCc1ccc(O)cc1 | 10.1016/S0960-894X(00)80687-3 | ||
| 14843038 | 137667 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 473 | 5 | 1 | 4 | 5.4 | COc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37699 | 137667 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 473 | 5 | 1 | 4 | 5.4 | COc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL338056 | 209848 | 0 | None | - | 0 | Bovine | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||||
| 44280374 | 102381 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 559 | 8 | 3 | 4 | 5.4 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)Nc1cccc(C(=O)O)c1 | 10.1021/jm950372w | ||
| CHEMBL30575 | 102381 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 559 | 8 | 3 | 4 | 5.4 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)Nc1cccc(C(=O)O)c1 | 10.1021/jm950372w | ||
| 44210428 | 58787 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 485 | 4 | 2 | 4 | 3.1 | CN1CCN(C(=O)CN2C(=O)C(NC(=O)Nc3cccc4ccccc34)CCc3ccccc32)CC1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL169794 | 58787 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 485 | 4 | 2 | 4 | 3.1 | CN1CCN(C(=O)CN2C(=O)C(NC(=O)Nc3cccc4ccccc34)CCc3ccccc32)CC1 | 10.1016/S0960-894X(00)80683-6 | ||
| 14208288 | 67326 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 349 | 2 | 1 | 3 | 3.0 | CN1C(=O)[C@@H](NC(=O)C(C)(C)C)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907660 | 67326 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 349 | 2 | 1 | 3 | 3.0 | CN1C(=O)[C@@H](NC(=O)C(C)(C)C)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44382560 | 119798 | 0 | None | - | 0 | Mouse | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 660 | 14 | 4 | 4 | 6.5 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCCc1ccccc1 | 10.1016/S0960-894X(00)80687-3 | ||
| CHEMBL352817 | 119798 | 0 | None | - | 0 | Mouse | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 660 | 14 | 4 | 4 | 6.5 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCCc1ccccc1 | 10.1016/S0960-894X(00)80687-3 | ||
| 44370473 | 50574 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 435 | 15 | 3 | 4 | 4.3 | CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)Nc1cccc(OC)c1 | 10.1021/jm00164a020 | ||
| CHEMBL157722 | 50574 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 435 | 15 | 3 | 4 | 4.3 | CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)Nc1cccc(OC)c1 | 10.1021/jm00164a020 | ||
| 44283496 | 99698 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 527 | 9 | 2 | 3 | 6.1 | CC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL288037 | 99698 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 527 | 9 | 2 | 3 | 6.1 | CC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 44408525 | 168850 | 0 | None | -56 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1075 | 30 | 12 | 14 | 1.5 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL442483 | 168850 | 0 | None | -56 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1075 | 30 | 12 | 14 | 1.5 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| 10624013 | 33304 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 464 | 6 | 3 | 4 | 4.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCC1 | 10.1021/jm970065l | ||
| CHEMBL142063 | 33304 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 464 | 6 | 3 | 4 | 4.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCC1 | 10.1021/jm970065l | ||
| 10886229 | 78168 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 559 | 6 | 3 | 5 | 4.4 | Cc1cccc(N2C(=O)C[C@@H]3[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)CCCN3C2=O)c1 | 10.1021/jm010813d | ||
| CHEMBL2112234 | 78168 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 559 | 6 | 3 | 5 | 4.4 | Cc1cccc(N2C(=O)C[C@@H]3[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)CCCN3C2=O)c1 | 10.1021/jm010813d | ||
| 44329150 | 111895 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 580 | 7 | 3 | 3 | 6.8 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC3(C)CCCCC3)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL329735 | 111895 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 580 | 7 | 3 | 3 | 6.8 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC3(C)CCCCC3)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 16100409 | 82807 | 0 | None | - | 3 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL218651 | 82807 | 0 | None | - | 3 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| 44280894 | 112998 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 708 | 19 | 3 | 5 | 6.6 | CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL33209 | 112998 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 708 | 19 | 3 | 5 | 6.6 | CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280213 | 101134 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 685 | 12 | 5 | 9 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL29888 | 101134 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 685 | 12 | 5 | 9 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44281005 | 116218 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 787 | 17 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33743 | 116218 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 787 | 17 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280915 | 99802 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 676 | 10 | 3 | 5 | 5.2 | O=C(O)C[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL289008 | 99802 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 676 | 10 | 3 | 5 | 5.2 | O=C(O)C[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280205 | 12942 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 695 | 12 | 4 | 6 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ncccc12 | 10.1021/jm950372w | ||
| CHEMBL1190133 | 12942 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 695 | 12 | 4 | 6 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ncccc12 | 10.1021/jm950372w | ||
| CHEMBL540261 | 12942 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 695 | 12 | 4 | 6 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ncccc12 | 10.1021/jm950372w | ||
| 44279811 | 96464 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL265987 | 96464 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44403829 | 71093 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm058225d | ||
| CHEMBL196143 | 71093 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm058225d | ||
| 10453063 | 106495 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 391 | 2 | 2 | 4 | 3.0 | Cc1cccc(NC(=O)NC2N=C(N3CCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| CHEMBL315214 | 106495 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 391 | 2 | 2 | 4 | 3.0 | Cc1cccc(NC(=O)NC2N=C(N3CCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| 10673193 | 97679 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 506 | 6 | 2 | 5 | 5.3 | CC(C)Oc1cccc(-n2c(CNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| CHEMBL273693 | 97679 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 506 | 6 | 2 | 5 | 5.3 | CC(C)Oc1cccc(-n2c(CNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| 10453063 | 106495 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 391 | 2 | 2 | 4 | 3.0 | Cc1cccc(NC(=O)NC2N=C(N3CCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9608523 | ||
| CHEMBL315214 | 106495 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 391 | 2 | 2 | 4 | 3.0 | Cc1cccc(NC(=O)NC2N=C(N3CCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9608523 | ||
| 10671800 | 205006 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 463 | 6 | 3 | 6 | 5.0 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL8997 | 205006 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 463 | 6 | 3 | 6 | 5.0 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 10094721 | 205157 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 439 | 5 | 3 | 7 | 3.5 | CN(C)c1cccc(-n2c(NNC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL9083 | 205157 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 439 | 5 | 3 | 7 | 3.5 | CN(C)c1cccc(-n2c(NNC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 10649303 | 205713 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 507 | 6 | 3 | 6 | 5.1 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL9422 | 205713 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 507 | 6 | 3 | 6 | 5.1 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 10838356 | 205900 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 477 | 6 | 3 | 7 | 4.4 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 | 10.1021/jm970373j | ||
| CHEMBL9524 | 205900 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 477 | 6 | 3 | 7 | 4.4 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 | 10.1021/jm970373j | ||
| 73349789 | 105644 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 629 | 12 | 6 | 6 | 4.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)NO)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL313499 | 105644 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 629 | 12 | 6 | 6 | 4.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)NO)c1ccccc1 | 10.1021/jm00092a007 | ||
| 14802536 | 156777 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CCCC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL2112694 | 156777 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CCCC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL407753 | 156777 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CCCC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| 73354298 | 96210 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL263876 | 96210 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 44280214 | 106805 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 770 | 16 | 6 | 10 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL31726 | 106805 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 770 | 16 | 6 | 10 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 15673181 | 85555 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 629 | 12 | 6 | 6 | 4.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)NO)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| CHEMBL2304156 | 85555 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 629 | 12 | 6 | 6 | 4.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)NO)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| 9827037 | 78404 | 6 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 493 | 6 | 4 | 4 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCC[C@@H]1O | 10.1021/jm970065l | ||
| CHEMBL2112795 | 78404 | 6 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 493 | 6 | 4 | 4 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCC[C@@H]1O | 10.1021/jm970065l | ||
| 9978327 | 78391 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 400 | 3 | 3 | 4 | 3.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL2112753 | 78391 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 400 | 3 | 3 | 4 | 3.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44381641 | 168065 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 723 | 20 | 7 | 8 | 3.2 | CCCC[C@H](N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(97)00107-8 | ||
| CHEMBL436253 | 168065 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 723 | 20 | 7 | 8 | 3.2 | CCCC[C@H](N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(97)00107-8 | ||
| 10673193 | 97679 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 506 | 6 | 2 | 5 | 5.3 | CC(C)Oc1cccc(-n2c(CNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL273693 | 97679 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 506 | 6 | 2 | 5 | 5.3 | CC(C)Oc1cccc(-n2c(CNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 44373702 | 119408 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 555 | 8 | 4 | 4 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@]1(C(=O)O)C[C@H]1c1ccccc1 | 10.1016/S0960-894X(01)81250-6 | ||
| CHEMBL349473 | 119408 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 555 | 8 | 4 | 4 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@]1(C(=O)O)C[C@H]1c1ccccc1 | 10.1016/S0960-894X(01)81250-6 | ||
| CHEMBL2310857 | 207734 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N1CC(OS(=O)(=O)O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||||
| 44368382 | 45069 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 511 | 9 | 4 | 4 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1Cl)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL152682 | 45069 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 511 | 9 | 4 | 4 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1Cl)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 44280111 | 99494 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 684 | 11 | 3 | 5 | 5.0 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc2C1 | 10.1021/jm950372w | ||
| CHEMBL286510 | 99494 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 684 | 11 | 3 | 5 | 5.0 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc2C1 | 10.1021/jm950372w | ||
| 15689729 | 106102 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 890 | 20 | 9 | 8 | 4.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Br)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142695 | 106102 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 890 | 20 | 9 | 8 | 4.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Br)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL320868 | 209473 | 0 | None | - | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| 15689733 | 106119 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 870 | 21 | 9 | 10 | 3.0 | COC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1021/jm00113a023 | ||
| CHEMBL3142905 | 106119 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 870 | 21 | 9 | 10 | 3.0 | COC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1021/jm00113a023 | ||
| CHEMBL3142923 | 209381 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | COc1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1021/jm960509y | ||||
| CHEMBL320868 | 209473 | 0 | None | - | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm960509y | ||||
| 44381695 | 120312 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 811 | 20 | 8 | 8 | 4.3 | Cc1ccccc1NC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1016/S0960-894X(00)80680-0 | ||
| CHEMBL355836 | 120312 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 811 | 20 | 8 | 8 | 4.3 | Cc1ccccc1NC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1016/S0960-894X(00)80680-0 | ||
| 65987 | 99103 | 9 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 440 | 6 | 2 | 3 | 4.1 | O=C(O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL283820 | 99103 | 9 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 440 | 6 | 2 | 3 | 4.1 | O=C(O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| 136026477 | 204318 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 499 | 5 | 1 | 4 | 6.6 | CC(C)Oc1cccc(-n2c(/C=C/c3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00092a003 | ||
| CHEMBL85250 | 204318 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 499 | 5 | 1 | 4 | 6.6 | CC(C)Oc1cccc(-n2c(/C=C/c3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00092a003 | ||
| 14208194 | 162872 | 2 | None | - | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL419764 | 162872 | 2 | None | - | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL320868 | 209473 | 0 | None | - | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00031a013 | ||||
| 73345199 | 141201 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL385918 | 141201 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 65987 | 99103 | 9 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 440 | 6 | 2 | 3 | 4.1 | O=C(O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL283820 | 99103 | 9 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 440 | 6 | 2 | 3 | 4.1 | O=C(O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 14991571 | 201238 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 905 | 21 | 8 | 10 | 3.9 | CC(=O)Oc1ccc2cc(C(=O)NCCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)ccc2c1 | 10.1021/jm00089a010 | ||
| CHEMBL62887 | 201238 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 905 | 21 | 8 | 10 | 3.9 | CC(=O)Oc1ccc2cc(C(=O)NCCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)ccc2c1 | 10.1021/jm00089a010 | ||
| 14208214 | 164685 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 405 | 3 | 2 | 3 | 4.4 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc2ccccc2c1 | 10.1021/jm00120a002 | ||
| CHEMBL422951 | 164685 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 405 | 3 | 2 | 3 | 4.4 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc2ccccc2c1 | 10.1021/jm00120a002 | ||
| 14208204 | 202750 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 407 | 3 | 2 | 3 | 4.0 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccc(Cl)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL72300 | 202750 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 407 | 3 | 2 | 3 | 4.0 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccc(Cl)cc1 | 10.1021/jm00120a002 | ||
| 44209151 | 59107 | 1 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 301 | 3 | 2 | 2 | 3.8 | O=C(Cc1ccccc1)Nc1cc2c3ccccc3nc-2c[nH]1 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL171108 | 59107 | 1 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 301 | 3 | 2 | 2 | 3.8 | O=C(Cc1ccccc1)Nc1cc2c3ccccc3nc-2c[nH]1 | 10.1016/S0960-894X(00)80682-4 | ||
| 44303299 | 199556 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 598 | 11 | 4 | 6 | 5.5 | CC(Cc1ccc(Oc2ccccc2)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL60386 | 199556 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 598 | 11 | 4 | 6 | 5.5 | CC(Cc1ccc(Oc2ccccc2)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 44279937 | 104370 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 690 | 11 | 3 | 5 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL31101 | 104370 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 690 | 11 | 3 | 5 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44329330 | 106690 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)C[C@H](c3cccc(C)c3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL316504 | 106690 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)C[C@H](c3cccc(C)c3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 52949124 | 861 | 2 | None | 2 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | 2 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | 2 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | 2 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 44280368 | 96436 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 573 | 8 | 2 | 4 | 5.4 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccc(C(=O)O)cc1 | 10.1021/jm950372w | ||
| CHEMBL265740 | 96436 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 573 | 8 | 2 | 4 | 5.4 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccc(C(=O)O)cc1 | 10.1021/jm950372w | ||
| 11742839 | 12700 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 419 | 2 | 2 | 4 | 3.7 | Cc1cccc(NC(=O)N[C@H]2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| CHEMBL1188361 | 12700 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 419 | 2 | 2 | 4 | 3.7 | Cc1cccc(NC(=O)N[C@H]2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| CHEMBL536245 | 12700 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 419 | 2 | 2 | 4 | 3.7 | Cc1cccc(NC(=O)N[C@H]2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| 44280397 | 103188 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 587 | 10 | 3 | 4 | 4.9 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30875 | 103188 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 587 | 10 | 3 | 4 | 4.9 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL262172 | 208773 | 0 | None | -691 | 4 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 14888709 | 76882 | 0 | None | - | 0 | Bovine | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1031 | 30 | 11 | 12 | 0.3 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(CC(=O)O)cc1)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| CHEMBL2079603 | 76882 | 0 | None | - | 0 | Bovine | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1031 | 30 | 11 | 12 | 0.3 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(CC(=O)O)cc1)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| 44280103 | 167384 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 573 | 8 | 2 | 4 | 5.4 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1C(=O)O | 10.1021/jm950372w | ||
| CHEMBL431692 | 167384 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 573 | 8 | 2 | 4 | 5.4 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1C(=O)O | 10.1021/jm950372w | ||
| 44331954 | 4371 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 12 | 2 | 3 | 4.8 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)N1CCCC1 | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL101681 | 4371 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 12 | 2 | 3 | 4.8 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)N1CCCC1 | 10.1016/S0960-894X(96)00546-X | ||
| 44368567 | 168159 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 495 | 9 | 4 | 4 | 4.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1F)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL437039 | 168159 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 495 | 9 | 4 | 4 | 4.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1F)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 10574611 | 205510 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 429 | 6 | 3 | 6 | 4.3 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccccc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL9291 | 205510 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 429 | 6 | 3 | 6 | 4.3 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccccc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 10838217 | 205593 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 473 | 7 | 3 | 8 | 3.7 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL9354 | 205593 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 473 | 7 | 3 | 8 | 3.7 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)c1 | 10.1021/jm970373j | ||
| 44330731 | 206493 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 946 | 25 | 9 | 11 | 0.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](NC(=O)CCc2ccc(OS(=O)(=O)O)cc2)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL98720 | 206493 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 946 | 25 | 9 | 11 | 0.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](NC(=O)CCc2ccc(OS(=O)(=O)O)cc2)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 73351326 | 81957 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL217234 | 81957 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 44368382 | 45069 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 511 | 9 | 4 | 4 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1Cl)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL152682 | 45069 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 511 | 9 | 4 | 4 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1Cl)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 10672231 | 204231 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 5 | 3 | 4 | 4.9 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@H]2CCC(C)(C)CCN2)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL84433 | 204231 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 5 | 3 | 4 | 4.9 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@H]2CCC(C)(C)CCN2)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL208479 | 207445 | 0 | None | -5 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| CHEMBL218763 | 207644 | 0 | None | -15 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 155534993 | 171419 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1385 | 38 | 16 | 19 | -3.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| CHEMBL4471171 | 171419 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1385 | 38 | 16 | 19 | -3.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| 71719689 | 85548 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 8 | 3 | 4 | 4.8 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccn1 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL2304063 | 85548 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 8 | 3 | 4 | 4.8 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccn1 | 10.1016/S0960-894X(01)80769-1 | ||
| 155548021 | 173082 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1409 | 38 | 15 | 21 | -2.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| CHEMBL4534788 | 173082 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1409 | 38 | 15 | 21 | -2.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| 10454826 | 98867 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 420 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00234-K | ||
| CHEMBL282294 | 98867 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 420 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00234-K | ||
| 10415786 | 169140 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 577 | 7 | 3 | 5 | 5.0 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(O)cc1 | 10.1021/jm950626d | ||
| CHEMBL443825 | 169140 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 577 | 7 | 3 | 5 | 5.0 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(O)cc1 | 10.1021/jm950626d | ||
| 44210427 | 120242 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 459 | 4 | 2 | 4 | 4.7 | CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2cccc3ccccc23)CCc2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL355319 | 120242 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 459 | 4 | 2 | 4 | 4.7 | CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2cccc3ccccc23)CCc2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| 11803746 | 106118 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 870 | 21 | 9 | 10 | 3.0 | COC(=O)c1ccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm960509y | ||
| CHEMBL3142904 | 106118 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 870 | 21 | 9 | 10 | 3.0 | COC(=O)c1ccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm960509y | ||
| 9887120 | 202417 | 3 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm000937a | ||
| CHEMBL70380 | 202417 | 3 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm000937a | ||
| 14843030 | 99809 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 379 | 4 | 1 | 3 | 5.0 | Cc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL289053 | 99809 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 379 | 4 | 1 | 3 | 5.0 | Cc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 9887120 | 202417 | 3 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL70380 | 202417 | 3 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL320868 | 209473 | 0 | None | - | 2 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00173a006 | ||||
| 14208284 | 67379 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 375 | 3 | 1 | 3 | 3.5 | CN1C(=O)[C@H](NC(=O)C2CCCCC2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907838 | 67379 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 375 | 3 | 1 | 3 | 3.5 | CN1C(=O)[C@H](NC(=O)C2CCCCC2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14444021 | 106180 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00123a003 | ||
| CHEMBL3143386 | 106180 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00123a003 | ||
| 73346732 | 169343 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL444113 | 169343 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 44283159 | 99659 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 515 | 8 | 3 | 3 | 6.6 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)/C(S)=N/CCc1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL287682 | 99659 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 515 | 8 | 3 | 3 | 6.6 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)/C(S)=N/CCc1ccccc1 | 10.1021/jm00086a017 | ||
| 44362746 | 118473 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 680 | 12 | 3 | 6 | 5.7 | C[Si](C)(C)CCOC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12 | 10.1016/s0960-894x(98)00677-5 | ||
| CHEMBL342520 | 118473 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 680 | 12 | 3 | 6 | 5.7 | C[Si](C)(C)CCOC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12 | 10.1016/s0960-894x(98)00677-5 | ||
| 90663994 | 106327 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 837 | 21 | 8 | 8 | 3.6 | Cc1ccc(/C=C\C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm00089a010 | ||
| CHEMBL3144563 | 106327 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 837 | 21 | 8 | 8 | 3.6 | Cc1ccc(/C=C\C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm00089a010 | ||
| 44334224 | 4971 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 480 | 7 | 2 | 5 | 3.3 | Cc1cccc(NC(=O)N[C@H](COC(=O)N(C)C)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL105303 | 4971 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 480 | 7 | 2 | 5 | 3.3 | Cc1cccc(NC(=O)N[C@H](COC(=O)N(C)C)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL3142685 | 209372 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| 44366345 | 118967 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 447 | 6 | 2 | 2 | 5.8 | O=C1[C@@H](Cc2c[nH]c3ccccc23)CN(Cc2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12 | 10.1016/0960-894X(94)80030-8 | ||
| CHEMBL345327 | 118967 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 447 | 6 | 2 | 2 | 5.8 | O=C1[C@@H](Cc2c[nH]c3ccccc23)CN(Cc2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12 | 10.1016/0960-894X(94)80030-8 | ||
| CHEMBL355608 | 209982 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N1CC(=O)N[C@H](Cc2ccccc2)C1 | 10.1016/S0960-894X(01)80253-5 | ||||
| CHEMBL436451 | 211923 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||||
| 44366108 | 43691 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 635 | 15 | 6 | 6 | 3.8 | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)NCc1ccccc1 | 10.1021/jm00123a003 | ||
| CHEMBL151276 | 43691 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 635 | 15 | 6 | 6 | 3.8 | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)NCc1ccccc1 | 10.1021/jm00123a003 | ||
| 44377588 | 119627 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 636 | 15 | 7 | 6 | 3.7 | CCCC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)NCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00388a002 | ||
| CHEMBL351313 | 119627 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 636 | 15 | 7 | 6 | 3.7 | CCCC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)NCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00388a002 | ||
| 14208231 | 202535 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 3.7 | CN1C(=O)C(NC(=O)c2cc3ccccc3n2C)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL71079 | 202535 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 3.7 | CN1C(=O)C(NC(=O)c2cc3ccccc3n2C)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| 9887120 | 202417 | 3 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00121a004 | ||
| CHEMBL70380 | 202417 | 3 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00121a004 | ||
| 9887120 | 202417 | 3 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970517u | ||
| CHEMBL70380 | 202417 | 3 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970517u | ||
| 10551230 | 205568 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 443 | 6 | 3 | 7 | 3.7 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccccc2)c1 | 10.1021/jm970373j | ||
| CHEMBL9336 | 205568 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 443 | 6 | 3 | 7 | 3.7 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccccc2)c1 | 10.1021/jm970373j | ||
| 44303237 | 100327 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 590 | 10 | 4 | 8 | 4.3 | CC(Cc1ccc(-c2csnn2)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL293178 | 100327 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 590 | 10 | 4 | 8 | 4.3 | CC(Cc1ccc(-c2csnn2)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 44408526 | 136409 | 0 | None | -1862 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1148 | 30 | 11 | 15 | 3.0 | CCCC[C@@H](C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O)N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL374325 | 136409 | 0 | None | -1862 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1148 | 30 | 11 | 15 | 3.0 | CCCC[C@@H](C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O)N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm050851n | ||
| 44280509 | 98932 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 588 | 10 | 3 | 5 | 4.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1ccccn1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL282732 | 98932 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 588 | 10 | 3 | 5 | 4.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1ccccn1)C(=O)O | 10.1021/jm950372w | ||
| 44280117 | 101568 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 672 | 12 | 3 | 6 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30195 | 101568 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 672 | 12 | 3 | 6 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 9802550 | 118658 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 426 | 4 | 2 | 3 | 4.4 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00163a069 | ||
| CHEMBL343066 | 118658 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 426 | 4 | 2 | 3 | 4.4 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00163a069 | ||
| 44303652 | 198996 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 570 | 8 | 2 | 3 | 7.2 | CC(Cc1ccc2c(c1)C(C)(C)CCC2(C)C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL59985 | 198996 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 570 | 8 | 2 | 3 | 7.2 | CC(Cc1ccc2c(c1)C(C)(C)CCC2(C)C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 44280363 | 101857 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 511 | 8 | 2 | 4 | 3.6 | CN(CC(=O)O)C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL30369 | 101857 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 511 | 8 | 2 | 4 | 3.6 | CN(CC(=O)O)C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280176 | 98840 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 615 | 12 | 3 | 4 | 5.6 | O=C(O)CCC(Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL282099 | 98840 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 615 | 12 | 3 | 4 | 5.6 | O=C(O)CCC(Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280350 | 99377 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 658 | 12 | 3 | 5 | 4.7 | CN(Cc1ccccc1)C(=O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL285739 | 99377 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 658 | 12 | 3 | 5 | 4.7 | CN(Cc1ccccc1)C(=O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 10746778 | 47281 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 646 | 8 | 2 | 6 | 5.2 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(N2CCOCC2)cc1 | 10.1021/jm950626d | ||
| CHEMBL154615 | 47281 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 646 | 8 | 2 | 6 | 5.2 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(N2CCOCC2)cc1 | 10.1021/jm950626d | ||
| 44365304 | 164189 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 444 | 8 | 2 | 3 | 4.3 | CC(C)N(C(=O)CN(C(=O)CNC(=O)Nc1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(97)00062-0 | ||
| CHEMBL421778 | 164189 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 444 | 8 | 2 | 3 | 4.3 | CC(C)N(C(=O)CN(C(=O)CNC(=O)Nc1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(97)00062-0 | ||
| 44265901 | 205779 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 486 | 5 | 1 | 4 | 5.5 | CN(C)c1cccc(-n2c(CCc3c[nH]c4cc(Br)ccc34)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL9459 | 205779 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 486 | 5 | 1 | 4 | 5.5 | CN(C)c1cccc(-n2c(CCc3c[nH]c4cc(Br)ccc34)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 71580808 | 89980 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 842 | 26 | 8 | 8 | 1.6 | C#CCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2013.02.022 | ||
| CHEMBL2386888 | 89980 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 842 | 26 | 8 | 8 | 1.6 | C#CCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2013.02.022 | ||
| 73349792 | 156860 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 669 | 13 | 5 | 7 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCSc1nc[nH]n1)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL407857 | 156860 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 669 | 13 | 5 | 7 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCSc1nc[nH]n1)c1ccccc1 | 10.1021/jm00092a007 | ||
| 44331065 | 106729 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 974 | 25 | 8 | 11 | 1.3 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL316709 | 106729 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 974 | 25 | 8 | 11 | 1.3 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 44300551 | 195709 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 390 | 3 | 2 | 3 | 4.1 | Cc1cccc(NC(=O)NC2N=C(C3CCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(01)80987-2 | ||
| CHEMBL56944 | 195709 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 390 | 3 | 2 | 3 | 4.1 | Cc1cccc(NC(=O)NC2N=C(C3CCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(01)80987-2 | ||
| 73351327 | 81999 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL217424 | 81999 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 14843045 | 133015 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 486 | 5 | 1 | 4 | 5.5 | CN(C)c1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37096 | 133015 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 486 | 5 | 1 | 4 | 5.5 | CN(C)c1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 10480792 | 45528 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL153095 | 45528 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3350686 | 45528 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 44329456 | 110944 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 526 | 6 | 3 | 3 | 5.5 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL327526 | 110944 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 526 | 6 | 3 | 3 | 5.5 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44280200 | 100344 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 785 | 18 | 4 | 7 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL29331 | 100344 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 785 | 18 | 4 | 7 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 19766167 | 58908 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 420 | 4 | 2 | 3 | 3.1 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL170293 | 58908 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 420 | 4 | 2 | 3 | 3.1 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 71458029 | 78365 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL2112692 | 78365 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| 4355450 | 135391 | 43 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37312 | 135391 | 43 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 14843032 | 138359 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 4 | 4.7 | COc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37829 | 138359 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 4 | 4.7 | COc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 14802537 | 58759 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL169615 | 58759 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 44280116 | 99158 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 672 | 12 | 3 | 6 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL284183 | 99158 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 672 | 12 | 3 | 6 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44280741 | 156009 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 759 | 15 | 4 | 8 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL406844 | 156009 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 759 | 15 | 4 | 8 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44334305 | 109218 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 514 | 9 | 3 | 4 | 4.6 | Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL322913 | 109218 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 514 | 9 | 3 | 4 | 4.6 | Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 15689723 | 106100 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 880 | 20 | 9 | 8 | 4.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142693 | 106100 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 880 | 20 | 9 | 8 | 4.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 14208227 | 101781 | 1 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 3.9 | CN1C(=O)C(NC(=O)c2cc3ccccc3n2C)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL303227 | 101781 | 1 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 3.9 | CN1C(=O)C(NC(=O)c2cc3ccccc3n2C)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14843042 | 127040 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 485 | 5 | 1 | 3 | 6.5 | CCc1cccc(-n2c(CC(C)c3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL36634 | 127040 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 485 | 5 | 1 | 3 | 6.5 | CCc1cccc(-n2c(CC(C)c3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 44349268 | 16592 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 9 | 3 | 4 | 3.1 | CC(C)(C)CCCNC(=O)C(CCC(=O)O)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00079a003 | ||
| CHEMBL124509 | 16592 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 9 | 3 | 4 | 3.1 | CC(C)(C)CCCNC(=O)C(CCC(=O)O)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00079a003 | ||
| 44381914 | 12878 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 522 | 14 | 1 | 4 | 4.7 | CCCCCN(CCCCC)C(=O)C(CCC(=O)N1CCN(C)CC1)NC(=O)c1ccc2ccccc2c1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL1189721 | 12878 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 522 | 14 | 1 | 4 | 4.7 | CCCCCN(CCCCC)C(=O)C(CCC(=O)N1CCN(C)CC1)NC(=O)c1ccc2ccccc2c1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL539320 | 12878 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 522 | 14 | 1 | 4 | 4.7 | CCCCCN(CCCCC)C(=O)C(CCC(=O)N1CCN(C)CC1)NC(=O)c1ccc2ccccc2c1 | 10.1016/S0960-894X(00)80681-2 | ||
| 44396746 | 126526 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 637 | 8 | 2 | 6 | 5.7 | C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| CHEMBL365620 | 126526 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 637 | 8 | 2 | 6 | 5.7 | C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| 44349354 | 118033 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 415 | 8 | 3 | 4 | 2.9 | CCc1cccc(C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2)c1 | 10.1021/jm00079a003 | ||
| CHEMBL341505 | 118033 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 415 | 8 | 3 | 4 | 2.9 | CCc1cccc(C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2)c1 | 10.1021/jm00079a003 | ||
| 44349335 | 116797 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 401 | 7 | 3 | 4 | 2.6 | Cc1cccc(C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2)c1 | 10.1021/jm00079a003 | ||
| CHEMBL339707 | 116797 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 401 | 7 | 3 | 4 | 2.6 | Cc1cccc(C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2)c1 | 10.1021/jm00079a003 | ||
| 44331978 | 4212 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 449 | 12 | 3 | 3 | 3.5 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL100762 | 4212 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 449 | 12 | 3 | 3 | 3.5 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| 73345199 | 141201 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL385918 | 141201 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 44349390 | 17260 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 417 | 8 | 3 | 5 | 2.3 | COc1cccc(C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2)c1 | 10.1021/jm00079a003 | ||
| CHEMBL125770 | 17260 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 417 | 8 | 3 | 5 | 2.3 | COc1cccc(C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2)c1 | 10.1021/jm00079a003 | ||
| 10699165 | 110952 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 625 | 7 | 1 | 4 | 6.9 | CC(C)N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(C(F)(F)F)cc1 | 10.1021/jm970265x | ||
| CHEMBL327552 | 110952 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 625 | 7 | 1 | 4 | 6.9 | CC(C)N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(C(F)(F)F)cc1 | 10.1021/jm970265x | ||
| 44359338 | 168090 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 489 | 6 | 3 | 3 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CC2CCC1C2 | 10.1021/jm970065l | ||
| CHEMBL436411 | 168090 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 489 | 6 | 3 | 3 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CC2CCC1C2 | 10.1021/jm970065l | ||
| 44280180 | 102147 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 655 | 11 | 5 | 8 | 3.6 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30430 | 102147 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 655 | 11 | 5 | 8 | 3.6 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL292097 | 209130 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(01)81005-2 | ||||
| 6957640 | 158802 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 404 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(01)80987-2 | ||
| CHEMBL410035 | 158802 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 404 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(01)80987-2 | ||
| 16100407 | 82245 | 0 | None | -112 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL217957 | 82245 | 0 | None | -112 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| 44279852 | 98890 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 690 | 11 | 3 | 5 | 5.6 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL282476 | 98890 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 690 | 11 | 3 | 5 | 5.6 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 10603713 | 111144 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 605 | 8 | 1 | 5 | 6.0 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4cccc(F)c34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL328586 | 111144 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 605 | 8 | 1 | 5 | 6.0 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4cccc(F)c34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL282175 | 98850 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 769 | 16 | 6 | 11 | 4.6 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCSCc3csc(C=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 44331850 | 206501 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 600 | 13 | 3 | 4 | 4.7 | O=C(Cc1c[nH]c2ccccc12)N[C@@H](CCc1ccccc1)C(=O)N(CCC1CCCCC1)CC(=O)N1CCC[C@H]1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL98788 | 206501 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 600 | 13 | 3 | 4 | 4.7 | O=C(Cc1c[nH]c2ccccc12)N[C@@H](CCc1ccccc1)C(=O)N(CCC1CCCCC1)CC(=O)N1CCC[C@H]1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| 145988494 | 166619 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 425 | 5 | 2 | 7 | 3.6 | CCOc1ccc(-n2c(N/N=C3\C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1 | 10.1039/C7MD00171A | ||
| CHEMBL4291306 | 166619 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 425 | 5 | 2 | 7 | 3.6 | CCOc1ccc(-n2c(N/N=C3\C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1 | 10.1039/C7MD00171A | ||
| CHEMBL263155 | 208805 | 0 | None | - | 0 | Bovine | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00100a033 | ||||
| 444998 | 207564 | 26 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00173a006 | ||||
| CHEMBL216166 | 207564 | 26 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00173a006 | ||||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44354128 | 20079 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL130578 | 20079 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| 14802521 | 58760 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL169616 | 58760 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 44356717 | 116267 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 513 | 5 | 3 | 5 | 4.7 | CN1C(=O)C(NC(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL337722 | 116267 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 513 | 5 | 3 | 5 | 4.7 | CN1C(=O)C(NC(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 367893 | 51329 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 429 | 14 | 3 | 3 | 4.3 | CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00164a020 | ||
| CHEMBL158362 | 51329 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 429 | 14 | 3 | 3 | 4.3 | CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00164a020 | ||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00164a020 | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00164a020 | ||
| 44334320 | 4939 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.6 | Cc1cccc(NC(=O)N[C@H](C[S+]([O-])Cc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL105132 | 4939 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.6 | Cc1cccc(NC(=O)N[C@H](C[S+]([O-])Cc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL433365 | 211880 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1016/S0960-894X(96)00546-X | ||||
| 196641 | 202683 | 7 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 4.0 | CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL71950 | 202683 | 7 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 4.0 | CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 90663984 | 106318 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 841 | 21 | 8 | 8 | 3.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144553 | 106318 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 841 | 21 | 8 | 8 | 3.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 90663985 | 106319 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 853 | 22 | 8 | 9 | 3.3 | COc1ccc(/C=C\C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm00089a010 | ||
| CHEMBL3144554 | 106319 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 853 | 22 | 8 | 9 | 3.3 | COc1ccc(/C=C\C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm00089a010 | ||
| 44279862 | 98660 | 0 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 702 | 13 | 3 | 7 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL281017 | 98660 | 0 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 702 | 13 | 3 | 7 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 19766161 | 58856 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 403 | 4 | 3 | 3 | 3.4 | O=C(O)CN1C(=O)C(NC(=O)Nc2cccc3ccccc23)CCc2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL170068 | 58856 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 403 | 4 | 3 | 3 | 3.4 | O=C(O)CN1C(=O)C(NC(=O)Nc2cccc3ccccc23)CCc2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| 1043 | 1545 | 13 | None | - | 29 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1016/S0960-894X(00)80644-7 | ||
| 149 | 1545 | 13 | None | - | 29 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1016/S0960-894X(00)80644-7 | ||
| 8223 | 1545 | 13 | None | - | 29 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1016/S0960-894X(00)80644-7 | ||
| CHEMBL442 | 1545 | 13 | None | - | 29 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1016/S0960-894X(00)80644-7 | ||
| DB00696 | 1545 | 13 | None | - | 29 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1016/S0960-894X(00)80644-7 | ||
| CHEMBL435339 | 211907 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||||
| 14208200 | 203001 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 422 | 5 | 3 | 3 | 4.0 | O=C(CCc1c[nH]c2ccccc12)NC1N=C(c2ccccc2)c2ccccc2NC1=O | 10.1021/jm00120a002 | ||
| CHEMBL74181 | 203001 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 422 | 5 | 3 | 3 | 4.0 | O=C(CCc1c[nH]c2ccccc12)NC1N=C(c2ccccc2)c2ccccc2NC1=O | 10.1021/jm00120a002 | ||
| 14720390 | 49110 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 373 | 10 | 3 | 3 | 2.8 | CCCN(CCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00164a020 | ||
| CHEMBL156415 | 49110 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 373 | 10 | 3 | 3 | 2.8 | CCCN(CCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00164a020 | ||
| 44303653 | 100300 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 557 | 10 | 2 | 5 | 5.7 | CN(C)Cc1oc2ccccc2c1CC(C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL292957 | 100300 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 557 | 10 | 2 | 5 | 5.7 | CN(C)Cc1oc2ccccc2c1CC(C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL379405 | 210508 | 0 | None | -10 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 44408411 | 160751 | 0 | None | -3548 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1242 | 31 | 11 | 15 | 4.4 | CCCC[C@@H](C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O)N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL412331 | 160751 | 0 | None | -3548 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1242 | 31 | 11 | 15 | 4.4 | CCCC[C@@H](C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O)N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm050851n | ||
| 10817395 | 106645 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 600 | 8 | 1 | 4 | 6.9 | COc1ccc(N(C(=O)CN2C(=O)C(C)(Cc3c[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm960249k | ||
| CHEMBL316164 | 106645 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 600 | 8 | 1 | 4 | 6.9 | COc1ccc(N(C(=O)CN2C(=O)C(C)(Cc3c[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm960249k | ||
| 10817395 | 106645 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 600 | 8 | 1 | 4 | 6.9 | COc1ccc(N(C(=O)CN2C(=O)C(C)(Cc3c[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL316164 | 106645 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 600 | 8 | 1 | 4 | 6.9 | COc1ccc(N(C(=O)CN2C(=O)C(C)(Cc3c[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| 52949124 | 861 | 2 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 73349808 | 161232 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL414180 | 161232 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 44280375 | 98638 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 559 | 8 | 3 | 4 | 5.4 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)Nc1ccc(C(=O)O)cc1 | 10.1021/jm950372w | ||
| CHEMBL280832 | 98638 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 559 | 8 | 3 | 4 | 5.4 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)Nc1ccc(C(=O)O)cc1 | 10.1021/jm950372w | ||
| 10768419 | 28880 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 525 | 10 | 5 | 5 | 3.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(CC(=O)O)CC(=O)O | 10.1021/jm970065l | ||
| CHEMBL138127 | 28880 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 525 | 10 | 5 | 5 | 3.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(CC(=O)O)CC(=O)O | 10.1021/jm970065l | ||
| 44327699 | 205739 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 641 | 15 | 2 | 5 | 7.2 | COC(=O)CCCCCCN(CCc1ccccc1)C(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL94352 | 205739 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 641 | 15 | 2 | 5 | 7.2 | COC(=O)CCCCCCN(CCc1ccccc1)C(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1016/S0960-894X(01)80769-1 | ||
| 10698051 | 204795 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 557 | 7 | 1 | 4 | 5.9 | CC(C)N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960249k | ||
| CHEMBL88545 | 204795 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 557 | 7 | 1 | 4 | 5.9 | CC(C)N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960249k | ||
| 10439504 | 91854 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 675 | 8 | 5 | 6 | 5.1 | O=C(O)c1cc(NC(=O)C2Cc3ccccc3CN2C(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/S0960-894X(97)00211-4 | ||
| CHEMBL24276 | 91854 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 675 | 8 | 5 | 6 | 5.1 | O=C(O)c1cc(NC(=O)C2Cc3ccccc3CN2C(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/S0960-894X(97)00211-4 | ||
| 10032956 | 167462 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 742 | 17 | 7 | 6 | 5.8 | Cc1ccccc1NC(=O)NCCCC[C@H](CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)NC(=O)CCC(=O)O | 10.1021/jm00017a022 | ||
| CHEMBL432258 | 167462 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 742 | 17 | 7 | 6 | 5.8 | Cc1ccccc1NC(=O)NCCCC[C@H](CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)NC(=O)CCC(=O)O | 10.1021/jm00017a022 | ||
| 10698051 | 204795 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 557 | 7 | 1 | 4 | 5.9 | CC(C)N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm970265x | ||
| CHEMBL88545 | 204795 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 557 | 7 | 1 | 4 | 5.9 | CC(C)N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm970265x | ||
| 155539345 | 172254 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1850 | 72 | 16 | 23 | 3.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4514283 | 172254 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1850 | 72 | 16 | 23 | 3.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 44210424 | 118700 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 423 | 4 | 2 | 4 | 3.8 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL34335 | 118700 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 423 | 4 | 2 | 4 | 3.8 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 22354599 | 193127 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 517 | 6 | 2 | 5 | 4.9 | Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL538912 | 193127 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 517 | 6 | 2 | 5 | 4.9 | Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 71456207 | 78199 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 655 | 12 | 5 | 7 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1c[nH]nn1)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL2112331 | 78199 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 655 | 12 | 5 | 7 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1c[nH]nn1)c1ccccc1 | 10.1021/jm00092a007 | ||
| 73349808 | 161232 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL414180 | 161232 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 14888721 | 76869 | 0 | None | - | 0 | Bovine | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1055 | 30 | 11 | 14 | -0.2 | CSCC[C@H](NC(=O)[C@H](Cc1ccc(Cc2nnn[nH]2)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| CHEMBL2079551 | 76869 | 0 | None | - | 0 | Bovine | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1055 | 30 | 11 | 14 | -0.2 | CSCC[C@H](NC(=O)[C@H](Cc1ccc(Cc2nnn[nH]2)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| 44318235 | 11956 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 513 | 7 | 2 | 4 | 3.0 | CCN(CC)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(c2cccc[n+]2C)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL1183721 | 11956 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 513 | 7 | 2 | 4 | 3.0 | CCN(CC)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(c2cccc[n+]2C)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL314846 | 11956 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 513 | 7 | 2 | 4 | 3.0 | CCN(CC)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(c2cccc[n+]2C)c2ccccc21 | 10.1021/jm9608523 | ||
| 44333311 | 4179 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 476 | 6 | 2 | 5 | 3.5 | CCCc1cccc(NC(=O)NC2N=C(N3CCN(C)CC3)c3ccccc3N(CCC)C2=O)c1 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL100502 | 4179 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 476 | 6 | 2 | 5 | 3.5 | CCCc1cccc(NC(=O)NC2N=C(N3CCN(C)CC3)c3ccccc3N(CCC)C2=O)c1 | 10.1016/0960-894X(95)00530-0 | ||
| 155550030 | 173320 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1399 | 39 | 16 | 19 | -2.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| CHEMBL4540191 | 173320 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1399 | 39 | 16 | 19 | -2.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| 19766169 | 165003 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 443 | 4 | 2 | 4 | 4.2 | CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)CCc2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL424211 | 165003 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 443 | 4 | 2 | 4 | 4.2 | CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)CCc2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| 14208286 | 67327 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 395 | 4 | 1 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)/C=C/c2ccccc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907661 | 67327 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 395 | 4 | 1 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)/C=C/c2ccccc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44354127 | 116222 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL337461 | 116222 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| 14802522 | 59245 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL171806 | 59245 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 44381821 | 120100 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 689 | 18 | 7 | 8 | 2.8 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@H](C#N)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(97)00107-8 | ||
| CHEMBL354632 | 120100 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 689 | 18 | 7 | 8 | 2.8 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@H](C#N)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(97)00107-8 | ||
| 44280740 | 99928 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 787 | 17 | 4 | 8 | 6.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL290122 | 99928 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 787 | 17 | 4 | 8 | 6.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44334225 | 4904 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 522 | 7 | 2 | 6 | 3.1 | Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCOCC2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL104958 | 4904 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 522 | 7 | 2 | 6 | 3.1 | Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCOCC2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 14208271 | 102409 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 455 | 3 | 1 | 3 | 4.4 | CN1C(=O)C(NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL305951 | 102409 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 455 | 3 | 1 | 3 | 4.4 | CN1C(=O)C(NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44381201 | 161115 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1062 | 29 | 9 | 12 | 3.6 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)CCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL413186 | 161115 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1062 | 29 | 9 | 12 | 3.6 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)CCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 44375217 | 56243 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 582 | 12 | 5 | 7 | 3.8 | O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL163974 | 56243 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 582 | 12 | 5 | 7 | 3.8 | O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| 73349808 | 161232 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL414180 | 161232 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 90663977 | 106304 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 823 | 21 | 8 | 8 | 3.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144539 | 106304 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 823 | 21 | 8 | 8 | 3.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL169174 | 207083 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 | 10.1016/S0960-894X(01)80253-5 | ||||
| 14208199 | 102585 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 394 | 3 | 3 | 3 | 3.7 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1c[nH]c2ccccc12 | 10.1021/jm00120a002 | ||
| CHEMBL307370 | 102585 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 394 | 3 | 3 | 3 | 3.7 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1c[nH]c2ccccc12 | 10.1021/jm00120a002 | ||
| 14208246 | 202966 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 407 | 3 | 2 | 3 | 4.0 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1Cl | 10.1021/jm00120a002 | ||
| CHEMBL73892 | 202966 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 407 | 3 | 2 | 3 | 4.0 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1Cl | 10.1021/jm00120a002 | ||
| 10462874 | 98367 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 766 | 16 | 6 | 5 | 7.1 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCCCNC(=O)Nc1ccccc1Cl | 10.1016/S0960-894X(00)80687-3 | ||
| CHEMBL278780 | 98367 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 766 | 16 | 6 | 5 | 7.1 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCCCNC(=O)Nc1ccccc1Cl | 10.1016/S0960-894X(00)80687-3 | ||
| 44396655 | 121523 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 608 | 8 | 2 | 5 | 5.7 | C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| CHEMBL359589 | 121523 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 608 | 8 | 2 | 5 | 5.7 | C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC3C4CC5CC(C4)CC3C5)C12 | 10.1021/jm0498755 | ||
| 44280974 | 99532 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 690 | 11 | 3 | 5 | 5.4 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2CCCCC2C1 | 10.1021/jm950372w | ||
| CHEMBL286763 | 99532 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 690 | 11 | 3 | 5 | 5.4 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2CCCCC2C1 | 10.1021/jm950372w | ||
| 44280225 | 99488 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL286475 | 99488 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280620 | 103426 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 686 | 15 | 4 | 5 | 5.2 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCCc1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL30924 | 103426 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 686 | 15 | 4 | 5 | 5.2 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCCc1ccccc1 | 10.1021/jm950372w | ||
| 44303511 | 159201 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 750 | 18 | 4 | 10 | 5.7 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(N)=O)n1nnnc1[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1016/S0960-894X(01)81005-2 | ||
| CHEMBL410511 | 159201 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 750 | 18 | 4 | 10 | 5.7 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(N)=O)n1nnnc1[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1016/S0960-894X(01)81005-2 | ||
| 2802894 | 2361 | 30 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@H]([C@@H]1c1ccccc1)c1ccccc1 | 10.1021/jm000937a | ||
| 3509 | 2361 | 30 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@H]([C@@H]1c1ccccc1)c1ccccc1 | 10.1021/jm000937a | ||
| CHEMBL333081 | 2361 | 30 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@H]([C@@H]1c1ccccc1)c1ccccc1 | 10.1021/jm000937a | ||
| 71449099 | 78389 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 414 | 4 | 3 | 4 | 3.0 | CN1C(=O)[C@H](NC(=O)NCc2cccc(O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL2112751 | 78389 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 414 | 4 | 3 | 4 | 3.0 | CN1C(=O)[C@H](NC(=O)NCc2cccc(O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44281292 | 114283 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 816 | 17 | 5 | 9 | 5.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33398 | 114283 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 816 | 17 | 5 | 9 | 5.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 2802894 | 2361 | 30 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@H]([C@@H]1c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| 3509 | 2361 | 30 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@H]([C@@H]1c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL333081 | 2361 | 30 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@H]([C@@H]1c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| 145979412 | 165990 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 459 | 3 | 2 | 6 | 3.9 | O=C1Nc2ccccc2/C1=N/Nc1nc2ccccc2c(=O)n1-c1cccc(Br)c1 | 10.1039/C7MD00171A | ||
| CHEMBL4279570 | 165990 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 459 | 3 | 2 | 6 | 3.9 | O=C1Nc2ccccc2/C1=N/Nc1nc2ccccc2c(=O)n1-c1cccc(Br)c1 | 10.1039/C7MD00171A | ||
| 9832467 | 143749 | 0 | None | -13 | 5 | Dog | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 477 | 7 | 3 | 4 | 5.9 | O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL390519 | 143749 | 0 | None | -13 | 5 | Dog | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 477 | 7 | 3 | 4 | 5.9 | O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 10319892 | 58767 | 2 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL169661 | 58767 | 2 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10838382 | 118813 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 478 | 6 | 3 | 4 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCCC1 | 10.1021/jm970065l | ||
| CHEMBL344211 | 118813 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 478 | 6 | 3 | 4 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCCC1 | 10.1021/jm970065l | ||
| 10555387 | 29865 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 589 | 10 | 3 | 3 | 7.0 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(Cc1ccccc1)Cc1ccccc1 | 10.1021/jm970065l | ||
| CHEMBL138952 | 29865 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 589 | 10 | 3 | 3 | 7.0 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(Cc1ccccc1)Cc1ccccc1 | 10.1021/jm970065l | ||
| 10032955 | 167461 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 742 | 17 | 7 | 6 | 5.8 | Cc1ccccc1NC(=O)NCCCC[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)NC(=O)CCC(=O)O | 10.1021/jm00017a022 | ||
| CHEMBL432256 | 167461 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 742 | 17 | 7 | 6 | 5.8 | Cc1ccccc1NC(=O)NCCCC[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)NC(=O)CCC(=O)O | 10.1021/jm00017a022 | ||
| 10093957 | 202918 | 1 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 426 | 3 | 2 | 3 | 3.9 | CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL73522 | 202918 | 1 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 426 | 3 | 2 | 3 | 3.9 | CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 73351326 | 81957 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL217234 | 81957 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 14843053 | 99684 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 409 | 4 | 1 | 5 | 4.4 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccc2c(c1)OCO2 | 10.1021/jm00108a040 | ||
| CHEMBL287913 | 99684 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 409 | 4 | 1 | 5 | 4.4 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccc2c(c1)OCO2 | 10.1021/jm00108a040 | ||
| 10369346 | 24749 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 518 | 6 | 3 | 5 | 4.4 | Cc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)Nc3ccncc3)C2=O)cc1 | 10.1021/jm00078a018 | ||
| CHEMBL134618 | 24749 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 518 | 6 | 3 | 5 | 4.4 | Cc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)Nc3ccncc3)C2=O)cc1 | 10.1021/jm00078a018 | ||
| 44370694 | 47731 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 488 | 15 | 2 | 4 | 4.8 | CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)N1CCCC1)NC(=O)Nc1cccc(OC)c1 | 10.1021/jm00164a020 | ||
| CHEMBL155017 | 47731 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 488 | 15 | 2 | 4 | 4.8 | CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)N1CCCC1)NC(=O)Nc1cccc(OC)c1 | 10.1021/jm00164a020 | ||
| 44329331 | 107566 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1ccc([C@H]2C[C@@H](NC(=O)Nc3cccc(C)c3)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c3ccccc3)C2)cc1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL319504 | 107566 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1ccc([C@H]2C[C@@H](NC(=O)Nc3cccc(C)c3)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c3ccccc3)C2)cc1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44280713 | 99557 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 740 | 15 | 6 | 9 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL286907 | 99557 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 740 | 15 | 6 | 9 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 10769675 | 205460 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 587 | 8 | 1 | 5 | 5.9 | COc1cccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)c1 | 10.1021/jm970265x | ||
| CHEMBL92586 | 205460 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 587 | 8 | 1 | 5 | 5.9 | COc1cccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)c1 | 10.1021/jm970265x | ||
| CHEMBL319340 | 209460 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| CHEMBL2112688 | 207494 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)[C@H](C)c1c[nH]c2ccccc12 | 10.1021/jm960078j | ||||
| CHEMBL98468 | 214140 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | Cc1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1021/jm00113a023 | ||||
| 14208242 | 155870 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 4.0 | CCOC(=O)CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL40668 | 155870 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 4.0 | CCOC(=O)CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL98468 | 214140 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | Cc1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1021/jm960509y | ||||
| CHEMBL103485 | 206705 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00173a006 | ||||
| CHEMBL319340 | 209460 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00173a006 | ||||
| CHEMBL98468 | 214140 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | Cc1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1021/jm00173a006 | ||||
| 14208268 | 202769 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 418 | 3 | 2 | 4 | 3.5 | CN1C(=O)C(NC(=O)c2ccc(Cl)cc2N)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL72428 | 202769 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 418 | 3 | 2 | 4 | 3.5 | CN1C(=O)C(NC(=O)c2ccc(Cl)cc2N)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44375675 | 56197 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 605 | 12 | 4 | 7 | 4.9 | O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL163506 | 56197 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 605 | 12 | 4 | 7 | 4.9 | O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL319340 | 209460 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80687-3 | ||||
| 15104620 | 110859 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 13 | 3 | 2 | 6.4 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(C)cc1 | 10.1021/jm00116a002 | ||
| CHEMBL326979 | 110859 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 13 | 3 | 2 | 6.4 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(C)cc1 | 10.1021/jm00116a002 | ||
| 14208242 | 155870 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 4.0 | CCOC(=O)CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL40668 | 155870 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 4.0 | CCOC(=O)CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00078a018 | ||
| 3960 | 2303 | 20 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC | 10.1021/jm00164a020 | ||
| 891 | 2303 | 20 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC | 10.1021/jm00164a020 | ||
| CHEMBL24938 | 2303 | 20 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC | 10.1021/jm00164a020 | ||
| 44349434 | 116501 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 396 | 11 | 3 | 3 | 3.6 | CCC(C)(CC)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL338929 | 116501 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 396 | 11 | 3 | 3 | 3.6 | CCC(C)(CC)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| 44349087 | 117932 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 420 | 7 | 3 | 3 | 3.8 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCC2CCCCC2C1 | 10.1021/jm00079a003 | ||
| CHEMBL341143 | 117932 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 420 | 7 | 3 | 3 | 3.8 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCC2CCCCC2C1 | 10.1021/jm00079a003 | ||
| 44382329 | 120101 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 475 | 3 | 2 | 2 | 5.9 | O=C1NN(C(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](c2ccccc2)[C@H]1c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL354633 | 120101 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 475 | 3 | 2 | 2 | 5.9 | O=C1NN(C(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](c2ccccc2)[C@H]1c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| 14208299 | 67385 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 465 | 3 | 1 | 3 | 4.2 | CN1C(=O)[C@@H](NC(=O)c2ccccc2Br)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907844 | 67385 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 465 | 3 | 1 | 3 | 4.2 | CN1C(=O)[C@@H](NC(=O)c2ccccc2Br)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14208253 | 202993 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 389 | 3 | 2 | 3 | 3.9 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc(Cl)c1 | 10.1021/jm00120a002 | ||
| CHEMBL74125 | 202993 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 389 | 3 | 2 | 3 | 3.9 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc(Cl)c1 | 10.1021/jm00120a002 | ||
| 14991542 | 106311 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 893 | 22 | 8 | 8 | 4.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144545 | 106311 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 893 | 22 | 8 | 8 | 4.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44349353 | 116329 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 415 | 7 | 3 | 4 | 3.0 | Cc1cc(C)cc(C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2)c1 | 10.1021/jm00079a003 | ||
| CHEMBL338045 | 116329 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 415 | 7 | 3 | 4 | 3.0 | Cc1cc(C)cc(C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2)c1 | 10.1021/jm00079a003 | ||
| 10530400 | 118817 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 535 | 7 | 3 | 5 | 5.0 | COC(=O)C1(NC(=O)[C@@](C)(Cc2c[nH]c3ccccc23)NC(=O)OC2C3CC4CC(C3)CC2C4)CCCCC1 | 10.1021/jm970065l | ||
| CHEMBL344220 | 118817 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 535 | 7 | 3 | 5 | 5.0 | COC(=O)C1(NC(=O)[C@@](C)(Cc2c[nH]c3ccccc23)NC(=O)OC2C3CC4CC(C3)CC2C4)CCCCC1 | 10.1021/jm970065l | ||
| 44303669 | 167715 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 573 | 10 | 4 | 5 | 3.9 | O=C(O)CCC(=O)N[C@@H](CNC(=O)C1(NC(=O)OC2C3CC4CC(C3)CC2C4)Cc2ccccc2C1)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL434020 | 167715 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 573 | 10 | 4 | 5 | 3.9 | O=C(O)CCC(=O)N[C@@H](CNC(=O)C1(NC(=O)OC2C3CC4CC(C3)CC2C4)Cc2ccccc2C1)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 10344702 | 28403 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.6 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCN(C)C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL137714 | 28403 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 3.6 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCN(C)C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44283085 | 99431 | 0 | None | - | 0 | Mouse | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 484 | 9 | 2 | 2 | 7.4 | CC(CCCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL286093 | 99431 | 0 | None | - | 0 | Mouse | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 484 | 9 | 2 | 2 | 7.4 | CC(CCCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 44283151 | 118649 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 531 | 9 | 4 | 4 | 5.6 | O=C(NC(Cc1c[nH]c2ccccc12)/C(S)=N/C(CO)Cc1ccccc1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL34300 | 118649 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 531 | 9 | 4 | 4 | 5.6 | O=C(NC(Cc1c[nH]c2ccccc12)/C(S)=N/C(CO)Cc1ccccc1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 44365788 | 121166 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 643 | 7 | 1 | 7 | 5.5 | COC(=O)n1c(C(=O)NC2C(=O)N(CC(=O)N(c3ccccc3)C(C)C)c3ccccc3N(c3ccccc3)C2=O)cc2ccccc21 | 10.1021/jm9601664 | ||
| CHEMBL358778 | 121166 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 643 | 7 | 1 | 7 | 5.5 | COC(=O)n1c(C(=O)NC2C(=O)N(CC(=O)N(c3ccccc3)C(C)C)c3ccccc3N(c3ccccc3)C2=O)cc2ccccc21 | 10.1021/jm9601664 | ||
| CHEMBL1172428 | 206834 | 0 | None | -47 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| CHEMBL1172429 | 206835 | 0 | None | -120 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| CHEMBL2372623 | 208522 | 0 | None | -218 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 21842345 | 121176 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL358875 | 121176 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00121a004 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00121a004 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970517u | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970517u | ||
| 5311201 | 205653 | 30 | None | -26 | 6 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm000937a | ||
| CHEMBL9387 | 205653 | 30 | None | -26 | 6 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm000937a | ||
| 10053201 | 16400 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 546 | 6 | 3 | 3 | 5.9 | CCc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 | 10.1021/jm00048a015 | ||
| CHEMBL124004 | 16400 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 546 | 6 | 3 | 3 | 5.9 | CCc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 | 10.1021/jm00048a015 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm020424z | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm020424z | ||
| CHEMBL274661 | 209060 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)OCCc1ccccc1 | 10.1021/jm00072a024 | ||||
| CHEMBL274661 | 209060 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)OCCc1ccccc1 | 10.1021/jm00072a024 | ||||
| 44293811 | 184526 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 601 | 5 | 2 | 4 | 5.8 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Cl)c1)N=C2c1ccccc1F | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL48563 | 184526 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 601 | 5 | 2 | 4 | 5.8 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Cl)c1)N=C2c1ccccc1F | 10.1016/S0960-894X(96)00609-9 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00609-9 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/np9800102 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/np9800102 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(00)80684-8 | ||
| 145979415 | 165995 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 509 | 6 | 3 | 6 | 4.9 | CCOc1ccc(-n2c(NNC(=S)Nc3ccc(Br)cc3)nc3ccccc3c2=O)cc1 | 10.1039/C7MD00171A | ||
| CHEMBL4279660 | 165995 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 509 | 6 | 3 | 6 | 4.9 | CCOc1ccc(-n2c(NNC(=S)Nc3ccc(Br)cc3)nc3ccccc3c2=O)cc1 | 10.1039/C7MD00171A | ||
| 155526914 | 170626 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1837 | 72 | 19 | 24 | 0.8 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4459331 | 170626 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1837 | 72 | 19 | 24 | 0.8 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 21842327 | 45768 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 6 | 2 | 4 | 4.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)C)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL153308 | 45768 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 6 | 2 | 4 | 4.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)C)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 155532425 | 171172 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1822 | 71 | 18 | 23 | 2.5 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4467338 | 171172 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1822 | 71 | 18 | 23 | 2.5 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL407057 | 210878 | 0 | None | 120 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O | 10.1021/jm050921q | ||||
| 10369804 | 16566 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 532 | 5 | 3 | 3 | 5.6 | Cc1cccc2c1N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 | 10.1021/jm00048a015 | ||
| CHEMBL124340 | 16566 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 532 | 5 | 3 | 3 | 5.6 | Cc1cccc2c1N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 | 10.1021/jm00048a015 | ||
| 44349572 | 114548 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 533 | 5 | 2 | 4 | 6.0 | Cc1ccc2c(c1)N(CC(=O)OC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 | 10.1021/jm00048a015 | ||
| CHEMBL334305 | 114548 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 533 | 5 | 2 | 4 | 6.0 | Cc1ccc2c(c1)N(CC(=O)OC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 | 10.1021/jm00048a015 | ||
| 10431936 | 92793 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 414 | 4 | 2 | 4 | 3.7 | COc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL2448131 | 92793 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 414 | 4 | 2 | 4 | 3.7 | COc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL384035 | 210559 | 1 | None | -512 | 4 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80679-4 | ||||
| CHEMBL428666 | 210559 | 1 | None | -512 | 4 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80679-4 | ||||
| CHEMBL384035 | 210559 | 1 | None | -512 | 4 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00072a024 | ||||
| CHEMBL428666 | 210559 | 1 | None | -512 | 4 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00072a024 | ||||
| 44332065 | 109214 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 552 | 13 | 3 | 4 | 4.3 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)N1CCC[C@H]1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL322893 | 109214 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 552 | 13 | 3 | 4 | 4.3 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)N1CCC[C@H]1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| 44327450 | 167627 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 558 | 10 | 3 | 5 | 4.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccn1)CC(=O)O | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL433384 | 167627 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 558 | 10 | 3 | 5 | 4.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccn1)CC(=O)O | 10.1016/S0960-894X(01)80769-1 | ||
| 21842336 | 120991 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 480 | 6 | 2 | 4 | 4.7 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL358420 | 120991 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 480 | 6 | 2 | 4 | 4.7 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 11799907 | 96538 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 511 | 6 | 3 | 7 | 5.0 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL266557 | 96538 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 511 | 6 | 3 | 7 | 5.0 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL1806531 | 207223 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||||
| CHEMBL1806532 | 207224 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||||
| 71458004 | 78203 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 670 | 12 | 5 | 8 | 4.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCn1nn[nH]c1=S)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL2112335 | 78203 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 670 | 12 | 5 | 8 | 4.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCn1nn[nH]c1=S)c1ccccc1 | 10.1021/jm00092a007 | ||
| 44318205 | 204070 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 459 | 3 | 3 | 4 | 3.9 | CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)CCC3)N=C([C@H]2CC(C)(C)CCN2)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL83130 | 204070 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 459 | 3 | 3 | 4 | 3.9 | CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)CCC3)N=C([C@H]2CC(C)(C)CCN2)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL120632 | 206853 | 30 | None | - | 3 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/0960-894X(94)85022-4 | ||||
| 56663263 | 63672 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1538 | 51 | 14 | 25 | -2.8 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOCCOCCOC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||
| CHEMBL1807150 | 63672 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1538 | 51 | 14 | 25 | -2.8 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOCCOCCOC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||
| 71454457 | 78198 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 655 | 12 | 5 | 7 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1nc[nH]n1)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL2112330 | 78198 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 655 | 12 | 5 | 7 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1nc[nH]n1)c1ccccc1 | 10.1021/jm00092a007 | ||
| 10458620 | 114035 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 499 | 5 | 2 | 4 | 5.4 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 | 10.1021/jm00048a015 | ||
| CHEMBL333718 | 114035 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 499 | 5 | 2 | 4 | 5.4 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 | 10.1021/jm00048a015 | ||
| 10625474 | 28998 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 508 | 8 | 3 | 5 | 4.2 | COC[C@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm970065l | ||
| CHEMBL138233 | 28998 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 508 | 8 | 3 | 5 | 4.2 | COC[C@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm970065l | ||
| 10392653 | 118523 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 544 | 5 | 2 | 5 | 3.4 | CN1CCN(C(=O)CN2C(=O)C(NC(=O)Nc3ccc(Cl)cc3)N=C(c3ccccc3)c3ccccc32)CC1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL342640 | 118523 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 544 | 5 | 2 | 5 | 3.4 | CN1CCN(C(=O)CN2C(=O)C(NC(=O)Nc3ccc(Cl)cc3)N=C(c3ccccc3)c3ccccc32)CC1 | 10.1016/S0960-894X(00)80683-6 | ||
| 71449079 | 78202 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 639 | 11 | 5 | 7 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)Cc1cc(O)no1)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL2112334 | 78202 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 639 | 11 | 5 | 7 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)Cc1cc(O)no1)c1ccccc1 | 10.1021/jm00092a007 | ||
| 14802530 | 21402 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL131754 | 21402 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL205965 | 207415 | 0 | None | 31 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 44300744 | 101470 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 4.7 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)O)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL301261 | 101470 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 4.7 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)O)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| 10003805 | 106965 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 448 | 4 | 2 | 5 | 2.9 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL318360 | 106965 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 448 | 4 | 2 | 5 | 2.9 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| 51353551 | 17935 | 10 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 605 | 8 | 3 | 5 | 5.0 | CC(C)N(C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1016/j.bmcl.2015.03.051 | ||
| CHEMBL1269257 | 17935 | 10 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 605 | 8 | 3 | 5 | 5.0 | CC(C)N(C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1016/j.bmcl.2015.03.051 | ||
| 19018662 | 26292 | 11 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 424 | 3 | 2 | 3 | 4.1 | CN1C(=O)C(NC(=O)Nc2ccc3c(c2)CCC3)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL136038 | 26292 | 11 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 424 | 3 | 2 | 3 | 4.1 | CN1C(=O)C(NC(=O)Nc2ccc3c(c2)CCC3)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL2369762 | 207925 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/0960-894X(94)85022-4 | ||||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00108a040 | ||
| 10815094 | 119880 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.2 | Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1N(C)c1nn[nH]n1 | 10.1021/jm9506736 | ||
| CHEMBL353509 | 119880 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.2 | Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1N(C)c1nn[nH]n1 | 10.1021/jm9506736 | ||
| 44280599 | 98692 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL281206 | 98692 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| 44336539 | 5060 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 563 | 7 | 2 | 5 | 4.6 | COc1ccc(N(C)C(=O)CN2C(=O)C(NC(=O)Nc3ccccc3)C(=O)N(c3ccccc3)c3ccccc32)cc1 | 10.1016/j.bmcl.2015.03.051 | ||
| CHEMBL105775 | 5060 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 563 | 7 | 2 | 5 | 4.6 | COc1ccc(N(C)C(=O)CN2C(=O)C(NC(=O)Nc3ccccc3)C(=O)N(c3ccccc3)c3ccccc32)cc1 | 10.1016/j.bmcl.2015.03.051 | ||
| 155536224 | 171583 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1409 | 38 | 15 | 21 | -2.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)n1cc([C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| CHEMBL4473301 | 171583 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1409 | 38 | 15 | 21 | -2.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)n1cc([C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| 10501974 | 96514 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 415 | 5 | 3 | 6 | 3.9 | COc1cccc(-n2c(NNC(=O)Nc3cccc(C)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL266376 | 96514 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 415 | 5 | 3 | 6 | 3.9 | COc1cccc(-n2c(NNC(=O)Nc3cccc(C)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL411202 | 211116 | 0 | None | - | 0 | Bovine | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00100a033 | ||||
| 44349069 | 117543 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL340413 | 117543 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 73351327 | 81999 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL217424 | 81999 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 14888714 | 76881 | 0 | None | - | 0 | Bovine | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1067 | 30 | 11 | 12 | 0.9 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(C(F)(F)C(=O)O)cc1)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| CHEMBL2079602 | 76881 | 0 | None | - | 0 | Bovine | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1067 | 30 | 11 | 12 | 0.9 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(C(F)(F)C(=O)O)cc1)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| 44303298 | 201601 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 9 | 5 | 6 | 3.5 | CC(Cc1ccc(O)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL64770 | 201601 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 9 | 5 | 6 | 3.5 | CC(Cc1ccc(O)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 14991572 | 162618 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 848 | 20 | 8 | 9 | 3.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cnc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL418123 | 162618 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 848 | 20 | 8 | 9 | 3.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cnc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44348808 | 17738 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 7 | 3 | 4 | 3.9 | O=C(O)CCC(NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL125925 | 17738 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 7 | 3 | 4 | 3.9 | O=C(O)CCC(NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44280996 | 99270 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 745 | 14 | 4 | 8 | 5.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL284976 | 99270 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 745 | 14 | 4 | 8 | 5.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44279861 | 102696 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 726 | 14 | 6 | 9 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30821 | 102696 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 726 | 14 | 6 | 9 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44280373 | 98916 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 773 | 16 | 4 | 8 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL282646 | 98916 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 773 | 16 | 4 | 8 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 155523323 | 170211 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1409 | 38 | 16 | 20 | -2.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)c1c[nH]nn1 | 10.1021/acs.jmedchem.9b01936 | ||
| CHEMBL4453047 | 170211 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1409 | 38 | 16 | 20 | -2.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)c1c[nH]nn1 | 10.1021/acs.jmedchem.9b01936 | ||
| CHEMBL3142681 | 209370 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| CHEMBL3142698 | 209378 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | Cc1ccccc1/N=C(/S)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| 44349314 | 16375 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 402 | 8 | 3 | 3 | 3.5 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cc(Cl)cc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL123852 | 16375 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 402 | 8 | 3 | 3 | 3.5 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cc(Cl)cc(Cl)c1 | 10.1021/jm00079a003 | ||
| 44458120 | 98491 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 377 | 5 | 3 | 3 | 2.0 | O=C(N[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H]1C(=O)O)c1cc2ccccc2[nH]1 | 10.1016/S0960-894X(00)80224-3 | ||
| CHEMBL279730 | 98491 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 377 | 5 | 3 | 3 | 2.0 | O=C(N[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H]1C(=O)O)c1cc2ccccc2[nH]1 | 10.1016/S0960-894X(00)80224-3 | ||
| 14208305 | 67387 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 513 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2cccc(I)c2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907846 | 67387 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 513 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2cccc(I)c2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14208231 | 202535 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 3.7 | CN1C(=O)C(NC(=O)c2cc3ccccc3n2C)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL71079 | 202535 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 3.7 | CN1C(=O)C(NC(=O)c2cc3ccccc3n2C)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14444022 | 106179 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm00123a003 | ||
| CHEMBL3143385 | 106179 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm00123a003 | ||
| 44365965 | 121173 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 649 | 16 | 6 | 6 | 3.8 | CC(C)CC(CC(=O)N[C@H](CC(=O)O)C(=O)NCCc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| CHEMBL358826 | 121173 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 649 | 16 | 6 | 6 | 3.8 | CC(C)CC(CC(=O)N[C@H](CC(=O)O)C(=O)NCCc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| 44334258 | 4383 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 451 | 8 | 3 | 4 | 3.5 | Cc1cccc(NC(=O)N[C@H](CCC(=O)O)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL101752 | 4383 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 451 | 8 | 3 | 4 | 3.5 | Cc1cccc(NC(=O)N[C@H](CCC(=O)O)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 44334172 | 4486 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 556 | 10 | 3 | 5 | 4.9 | Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL102526 | 4486 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 556 | 10 | 3 | 5 | 4.9 | Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 14208231 | 202535 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 3.7 | CN1C(=O)C(NC(=O)c2cc3ccccc3n2C)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL71079 | 202535 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 3.7 | CN1C(=O)C(NC(=O)c2cc3ccccc3n2C)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| 14208230 | 102721 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 446 | 3 | 3 | 3 | 4.5 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1 | 10.1021/jm00120a002 | ||
| CHEMBL308414 | 102721 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 446 | 3 | 3 | 3 | 4.5 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1 | 10.1021/jm00120a002 | ||
| 44365993 | 43918 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 635 | 15 | 6 | 6 | 3.8 | CC(C)C[C@@H](CC(=O)NC(CC(=O)O)C(=O)NCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| CHEMBL151619 | 43918 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 635 | 15 | 6 | 6 | 3.8 | CC(C)C[C@@H](CC(=O)NC(CC(=O)O)C(=O)NCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| 15104613 | 109813 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 486 | 13 | 3 | 2 | 6.2 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1c[nH]c2ccccc12 | 10.1021/jm00116a002 | ||
| CHEMBL323854 | 109813 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 486 | 13 | 3 | 2 | 6.2 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1c[nH]c2ccccc12 | 10.1021/jm00116a002 | ||
| 10076650 | 26012 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 566 | 8 | 4 | 5 | 3.5 | O=C(N[C@@H]1C[C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)N2C1=O)OCc1ccccc1 | 10.1021/jm050689o | ||
| CHEMBL13577 | 26012 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 566 | 8 | 4 | 5 | 3.5 | O=C(N[C@@H]1C[C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)N2C1=O)OCc1ccccc1 | 10.1021/jm050689o | ||
| 10076650 | 26012 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 566 | 8 | 4 | 5 | 3.5 | O=C(N[C@@H]1C[C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)N2C1=O)OCc1ccccc1 | 10.1021/jm000959x | ||
| CHEMBL13577 | 26012 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 566 | 8 | 4 | 5 | 3.5 | O=C(N[C@@H]1C[C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)N2C1=O)OCc1ccccc1 | 10.1021/jm000959x | ||
| 10076650 | 26012 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 566 | 8 | 4 | 5 | 3.5 | O=C(N[C@@H]1C[C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)N2C1=O)OCc1ccccc1 | 10.1016/s0960-894x(01)00630-8 | ||
| CHEMBL13577 | 26012 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 566 | 8 | 4 | 5 | 3.5 | O=C(N[C@@H]1C[C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)N2C1=O)OCc1ccccc1 | 10.1016/s0960-894x(01)00630-8 | ||
| 44329486 | 112089 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 544 | 6 | 3 | 3 | 5.7 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)C[C@H](c3ccc(F)cc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL330197 | 112089 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 544 | 6 | 3 | 3 | 5.7 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)C[C@H](c3ccc(F)cc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44303651 | 198787 | 0 | None | - | 0 | Mouse | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 458 | 6 | 2 | 3 | 4.4 | O=C(NC1(C(=O)NCCc2ccccc2)Cc2ccccc2C1)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL59859 | 198787 | 0 | None | - | 0 | Mouse | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 458 | 6 | 2 | 3 | 4.4 | O=C(NC1(C(=O)NCCc2ccccc2)Cc2ccccc2C1)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(97)00356-9 | ||
| 155562281 | 175258 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1900 | 71 | 16 | 23 | 4.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4585323 | 175258 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1900 | 71 | 16 | 23 | 4.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 73351326 | 81957 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL217234 | 81957 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 44279810 | 103354 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 757 | 16 | 4 | 7 | 5.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30917 | 103354 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 757 | 16 | 4 | 7 | 5.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 52949124 | 861 | 2 | None | 2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | 2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | 2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | 2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 44353183 | 116263 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 555 | 8 | 3 | 4 | 5.2 | O=C(OC1C2CC3CC(C2)CC1C3)N1CCCC1(Cc1c[nH]c2ccccc12)C(=O)NC(CO)Cc1ccccc1 | 10.1016/S0960-894X(00)80156-0 | ||
| CHEMBL337692 | 116263 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 555 | 8 | 3 | 4 | 5.2 | O=C(OC1C2CC3CC(C2)CC1C3)N1CCCC1(Cc1c[nH]c2ccccc12)C(=O)NC(CO)Cc1ccccc1 | 10.1016/S0960-894X(00)80156-0 | ||
| 44349411 | 16649 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 380 | 7 | 3 | 3 | 3.1 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCC1 | 10.1021/jm00079a003 | ||
| CHEMBL124802 | 16649 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 380 | 7 | 3 | 3 | 3.1 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCC1 | 10.1021/jm00079a003 | ||
| 73354295 | 105453 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 643 | 13 | 5 | 6 | 4.5 | CONC(=O)CCC(=O)N[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL312894 | 105453 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 643 | 13 | 5 | 6 | 4.5 | CONC(=O)CCC(=O)N[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 | 10.1021/jm00092a007 | ||
| 10256428 | 119170 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL347278 | 119170 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL386811 | 210636 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)OCCc1ccccc1 | 10.1021/jm00072a024 | ||||
| 44368329 | 120477 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)NCCc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL356446 | 120477 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)NCCc1ccccc1 | 10.1021/jm00057a005 | ||
| 90663976 | 106303 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 839 | 21 | 9 | 9 | 3.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccccc1O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144538 | 106303 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 839 | 21 | 9 | 9 | 3.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccccc1O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44280224 | 104292 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 757 | 16 | 4 | 7 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL31090 | 104292 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 757 | 16 | 4 | 7 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL3142682 | 209371 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NC1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| 14991574 | 100223 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 836 | 20 | 9 | 8 | 3.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL292471 | 100223 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 836 | 20 | 9 | 8 | 3.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 90663992 | 106325 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 866 | 22 | 8 | 9 | 3.3 | CN(C)c1ccc(/C=C\C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm00089a010 | ||
| CHEMBL3144561 | 106325 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 866 | 22 | 8 | 9 | 3.3 | CN(C)c1ccc(/C=C\C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm00089a010 | ||
| 44280130 | 160720 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 670 | 11 | 3 | 5 | 5.0 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc21 | 10.1021/jm950372w | ||
| CHEMBL412108 | 160720 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 670 | 11 | 3 | 5 | 5.0 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc21 | 10.1021/jm950372w | ||
| 11797585 | 97991 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 445 | 6 | 3 | 7 | 3.9 | COc1ccc(-n2c(NNC(=O)Nc3cccc(C)c3)nc3ccccc3c2=O)cc1OC | 10.1021/jm970373j | ||
| CHEMBL275789 | 97991 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 445 | 6 | 3 | 7 | 3.9 | COc1ccc(-n2c(NNC(=O)Nc3cccc(C)c3)nc3ccccc3c2=O)cc1OC | 10.1021/jm970373j | ||
| 10322621 | 57239 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 7 | 4.4 | CC(C)Oc1cccc(-n2c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| CHEMBL166443 | 57239 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 7 | 4.4 | CC(C)Oc1cccc(-n2c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| 44280398 | 98775 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 601 | 10 | 2 | 4 | 5.2 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL281728 | 98775 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 601 | 10 | 2 | 4 | 5.2 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| 44280101 | 99119 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 573 | 9 | 3 | 4 | 5.3 | O=C(O)Cc1cccc(NC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)c1 | 10.1021/jm950372w | ||
| CHEMBL283920 | 99119 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 573 | 9 | 3 | 4 | 5.3 | O=C(O)Cc1cccc(NC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)c1 | 10.1021/jm950372w | ||
| 40652201 | 197403 | 0 | None | - | 1 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 407 | 9 | 3 | 3 | 4.2 | CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 | 10.1016/S0960-894X(97)00346-6 | ||
| CHEMBL58852 | 197403 | 0 | None | - | 1 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 407 | 9 | 3 | 3 | 4.2 | CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 | 10.1016/S0960-894X(97)00346-6 | ||
| 10530757 | 118045 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 553 | 10 | 3 | 7 | 3.6 | COC(=O)CC(CC(=O)OC)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm970065l | ||
| CHEMBL341560 | 118045 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 553 | 10 | 3 | 7 | 3.6 | COC(=O)CC(CC(=O)OC)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm970065l | ||
| 44280178 | 102136 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 601 | 11 | 3 | 4 | 5.3 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL30422 | 102136 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 601 | 11 | 3 | 4 | 5.3 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280131 | 99118 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 680 | 11 | 4 | 5 | 5.8 | O=C(O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL283914 | 99118 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 680 | 11 | 4 | 5 | 5.8 | O=C(O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| 44280214 | 106805 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 770 | 16 | 6 | 10 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL31726 | 106805 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 770 | 16 | 6 | 10 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280225 | 99488 | 0 | None | - | 1 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL286475 | 99488 | 0 | None | - | 1 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44349240 | 117601 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 368 | 11 | 3 | 3 | 3.0 | CCCCCCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL340755 | 117601 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 368 | 11 | 3 | 3 | 3.0 | CCCCCCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| 44280123 | 98803 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 626 | 10 | 4 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL281903 | 98803 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 626 | 10 | 4 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| 44303488 | 100577 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 501 | 8 | 2 | 6 | 4.1 | CC(Cn1nnc2ccccc21)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL294735 | 100577 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 501 | 8 | 2 | 6 | 4.1 | CC(Cn1nnc2ccccc21)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 10077166 | 99459 | 0 | None | 75 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL286247 | 99459 | 0 | None | 75 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 44280157 | 155176 | 0 | None | 75 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL405468 | 155176 | 0 | None | 75 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL205306 | 207414 | 0 | None | -109 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 10668688 | 205789 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 400 | 4 | 4 | 6 | 3.4 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(N)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL9465 | 205789 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 400 | 4 | 4 | 6 | 3.4 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(N)c2)c1 | 10.1021/jm970373j | ||
| 44280102 | 102223 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 587 | 10 | 3 | 4 | 4.9 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30481 | 102223 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 587 | 10 | 3 | 4 | 4.9 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| 44387108 | 167680 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 650 | 9 | 3 | 5 | 4.7 | COC(=O)[C@@]1(Cc2ccccc2)C[C@H]2[C@H](NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C34CC5CC(CC(C5)C3)C4)CCCN2C1=O | 10.1016/0960-894X(96)00160-6 | ||
| CHEMBL433770 | 167680 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 650 | 9 | 3 | 5 | 4.7 | COC(=O)[C@@]1(Cc2ccccc2)C[C@H]2[C@H](NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C34CC5CC(CC(C5)C3)C4)CCCN2C1=O | 10.1016/0960-894X(96)00160-6 | ||
| 10504136 | 204902 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 459 | 7 | 3 | 7 | 4.3 | COc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL8922 | 204902 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 459 | 7 | 3 | 7 | 4.3 | COc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 | 10.1021/jm970373j | ||
| 10791546 | 205344 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 8 | 3 | 8 | 4.5 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL9188 | 205344 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 8 | 3 | 8 | 4.5 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL438911 | 212048 | 0 | None | - | 0 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00100a033 | ||||
| 10070677 | 161163 | 13 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL41361 | 161163 | 13 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| 14888736 | 97622 | 0 | None | - | 0 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 974 | 29 | 10 | 11 | 1.2 | CSCC[C@H](NC(=O)CCc1ccc(CC(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| CHEMBL273344 | 97622 | 0 | None | - | 0 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 974 | 29 | 10 | 11 | 1.2 | CSCC[C@H](NC(=O)CCc1ccc(CC(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| 44356868 | 25756 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 412 | 3 | 2 | 3 | 4.3 | Cc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1C | 10.1021/jm00078a018 | ||
| CHEMBL135433 | 25756 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 412 | 3 | 2 | 3 | 4.3 | Cc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1C | 10.1021/jm00078a018 | ||
| 10346957 | 26732 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 531 | 7 | 2 | 4 | 4.9 | CCN(CC)C(=O)C(C)N1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL136436 | 26732 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 531 | 7 | 2 | 4 | 4.9 | CCN(CC)C(=O)C(C)N1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44356801 | 164948 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.6 | C#Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL424076 | 164948 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.6 | C#Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44386486 | 130155 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 650 | 9 | 3 | 5 | 4.7 | COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@@H](NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C34CC5CC(CC(C5)C3)C4)CCCN2C1=O | 10.1016/0960-894X(96)00160-6 | ||
| CHEMBL368356 | 130155 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 650 | 9 | 3 | 5 | 4.7 | COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@@H](NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C34CC5CC(CC(C5)C3)C4)CCCN2C1=O | 10.1016/0960-894X(96)00160-6 | ||
| 10253366 | 115832 | 11 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 452 | 3 | 2 | 3 | 5.0 | CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2Cl)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL335951 | 115832 | 11 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 452 | 3 | 2 | 3 | 5.0 | CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2Cl)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44281004 | 99604 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 773 | 15 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL287295 | 99604 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 773 | 15 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 19766168 | 59230 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 367 | 4 | 3 | 3 | 2.5 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)O)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL171722 | 59230 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 367 | 4 | 3 | 3 | 2.5 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)O)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 10474221 | 16655 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 368 | 8 | 3 | 3 | 2.9 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL124822 | 16655 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 368 | 8 | 3 | 3 | 2.9 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| 44381489 | 96732 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1124 | 30 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL268337 | 96732 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1124 | 30 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 44382735 | 120237 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 646 | 13 | 4 | 4 | 6.1 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCc1ccccc1 | 10.1016/S0960-894X(00)80687-3 | ||
| CHEMBL355275 | 120237 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 646 | 13 | 4 | 4 | 6.1 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCc1ccccc1 | 10.1016/S0960-894X(00)80687-3 | ||
| 14208267 | 202811 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.1 | N#Cc1ccc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL72710 | 202811 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.1 | N#Cc1ccc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 | 10.1021/jm00120a002 | ||
| 11062139 | 96216 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 703 | 8 | 5 | 6 | 5.5 | O=C(O)c1cc(NC(=O)C2Cc3ccccc3CCCN2C(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/S0960-894X(97)00211-4 | ||
| CHEMBL26390 | 96216 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 703 | 8 | 5 | 6 | 5.5 | O=C(O)c1cc(NC(=O)C2Cc3ccccc3CCCN2C(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/S0960-894X(97)00211-4 | ||
| 11765552 | 113118 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 742 | 17 | 7 | 6 | 5.8 | Cc1ccccc1NC(=O)NCCCC[C@@H](CNC(=O)CCC(=O)O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm00017a022 | ||
| CHEMBL332263 | 113118 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 742 | 17 | 7 | 6 | 5.8 | Cc1ccccc1NC(=O)NCCCC[C@@H](CNC(=O)CCC(=O)O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm00017a022 | ||
| 10740785 | 96849 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 419 | 4 | 3 | 5 | 4.5 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL269142 | 96849 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 419 | 4 | 3 | 5 | 4.5 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)c1 | 10.1021/jm970373j | ||
| 44286379 | 99834 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 852 | 21 | 6 | 9 | 3.3 | CN(C(=O)[C@H](CCCCNC(=O)/C=C/c1cccnc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00037a006 | ||
| CHEMBL289284 | 99834 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 852 | 21 | 6 | 9 | 3.3 | CN(C(=O)[C@H](CCCCNC(=O)/C=C/c1cccnc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00037a006 | ||
| 44303470 | 201565 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 479 | 8 | 2 | 5 | 4.5 | Cc1noc(C)c1CC(C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL64623 | 201565 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 479 | 8 | 2 | 5 | 4.5 | Cc1noc(C)c1CC(C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 15670985 | 205352 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 490 | 9 | 3 | 5 | 3.2 | COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)Nc2cccc(C(=O)O)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL9195 | 205352 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 490 | 9 | 3 | 5 | 3.2 | COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)Nc2cccc(C(=O)O)c2)c1 | 10.1021/jm970373j | ||
| 10070677 | 161163 | 13 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL41361 | 161163 | 13 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| 73354293 | 106061 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 650 | 12 | 6 | 5 | 4.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(=O)(O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL314178 | 106061 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 650 | 12 | 6 | 5 | 4.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(=O)(O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| 73351319 | 167590 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 648 | 12 | 5 | 5 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(C)(=O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL433148 | 167590 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 648 | 12 | 5 | 5 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(C)(=O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| 44354100 | 116256 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL337661 | 116256 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| 73346732 | 169343 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL444113 | 169343 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 44354100 | 120285 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL355656 | 120285 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 44368567 | 168159 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 9 | 4 | 4 | 4.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1F)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL437039 | 168159 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 9 | 4 | 4 | 4.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1F)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 44280740 | 99928 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 787 | 17 | 4 | 8 | 6.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL290122 | 99928 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 787 | 17 | 4 | 8 | 6.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 15673154 | 85554 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 650 | 12 | 6 | 5 | 4.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCP(=O)(O)O)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| CHEMBL2304155 | 85554 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 650 | 12 | 6 | 5 | 4.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCP(=O)(O)O)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| 44376132 | 119728 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 494 | 6 | 3 | 6 | 3.9 | CC(C)CN1C(=O)[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| CHEMBL352264 | 119728 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 494 | 6 | 3 | 6 | 3.9 | CC(C)CN1C(=O)[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| 10507109 | 108727 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 561 | 7 | 2 | 4 | 5.3 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960205b | ||
| CHEMBL321761 | 108727 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 561 | 7 | 2 | 4 | 5.3 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960205b | ||
| 14843044 | 99175 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 511 | 4 | 1 | 3 | 6.4 | O=c1c2ccccc2nc(CCc2c[nH]c3ccc(Br)cc23)n1-c1cccc(C(F)(F)F)c1 | 10.1021/jm00108a040 | ||
| CHEMBL284317 | 99175 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 511 | 4 | 1 | 3 | 6.4 | O=c1c2ccccc2nc(CCc2c[nH]c3ccc(Br)cc23)n1-c1cccc(C(F)(F)F)c1 | 10.1021/jm00108a040 | ||
| 44280116 | 99158 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 672 | 12 | 3 | 6 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL284183 | 99158 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 672 | 12 | 3 | 6 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44334354 | 4538 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 517 | 9 | 2 | 4 | 5.0 | Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL102879 | 4538 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 517 | 9 | 2 | 4 | 5.0 | Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 10252890 | 25404 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 444 | 5 | 2 | 5 | 3.7 | COc1cc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc(OC)c1 | 10.1021/jm00078a018 | ||
| CHEMBL135167 | 25404 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 444 | 5 | 2 | 5 | 3.7 | COc1cc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc(OC)c1 | 10.1021/jm00078a018 | ||
| 44349023 | 16163 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 384 | 8 | 3 | 3 | 3.4 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1ccc2ccccc2c1 | 10.1021/jm00079a003 | ||
| CHEMBL122922 | 16163 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 384 | 8 | 3 | 3 | 3.4 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1ccc2ccccc2c1 | 10.1021/jm00079a003 | ||
| 44349027 | 16632 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 438 | 7 | 3 | 5 | 2.9 | O=C(O)CCC(NC(=O)c1cnc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL124732 | 16632 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 438 | 7 | 3 | 5 | 2.9 | O=C(O)CCC(NC(=O)c1cnc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44349429 | 16643 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 406 | 7 | 3 | 4 | 3.0 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)C1CC2CCCCC2CN1 | 10.1021/jm00079a003 | ||
| CHEMBL124780 | 16643 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 406 | 7 | 3 | 4 | 3.0 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)C1CC2CCCCC2CN1 | 10.1021/jm00079a003 | ||
| 71456173 | 78060 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL2111826 | 78060 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 10531 | 1387 | 18 | None | - | 24 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1016/S0960-894X(00)80644-7 | ||
| 121 | 1387 | 18 | None | - | 24 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1016/S0960-894X(00)80644-7 | ||
| 888 | 1387 | 18 | None | - | 24 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1016/S0960-894X(00)80644-7 | ||
| CHEMBL1732 | 1387 | 18 | None | - | 24 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1016/S0960-894X(00)80644-7 | ||
| DB00320 | 1387 | 18 | None | - | 24 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1016/S0960-894X(00)80644-7 | ||
| 44348808 | 17738 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 451 | 7 | 3 | 4 | 3.9 | O=C(O)CCC(NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL125925 | 17738 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 451 | 7 | 3 | 4 | 3.9 | O=C(O)CCC(NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44360340 | 32470 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 457 | 5 | 1 | 4 | 5.1 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)Cc1cccc2sccc12 | 10.1021/jm00163a069 | ||
| CHEMBL141354 | 32470 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 457 | 5 | 1 | 4 | 5.1 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)Cc1cccc2sccc12 | 10.1021/jm00163a069 | ||
| CHEMBL411079 | 211105 | 0 | None | - | 0 | Bovine | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00100a033 | ||||
| 44396732 | 66544 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 545 | 7 | 2 | 6 | 4.5 | CN(C)c1ccc(N2C(=O)CC3[C@H](N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC(C)(C)C)CCCN3C2=O)cc1 | 10.1021/jm0498755 | ||
| CHEMBL186438 | 66544 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 545 | 7 | 2 | 6 | 4.5 | CN(C)c1ccc(N2C(=O)CC3[C@H](N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC(C)(C)C)CCCN3C2=O)cc1 | 10.1021/jm0498755 | ||
| 10962743 | 78172 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 559 | 6 | 3 | 5 | 4.4 | Cc1ccc(N2C(=O)C[C@@H]3[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)CCCN3C2=O)cc1 | 10.1021/jm010813d | ||
| CHEMBL2112239 | 78172 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 559 | 6 | 3 | 5 | 4.4 | Cc1ccc(N2C(=O)C[C@@H]3[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)CCCN3C2=O)cc1 | 10.1021/jm010813d | ||
| 11028319 | 79232 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 588 | 7 | 3 | 6 | 4.2 | CN(C)c1ccc(N2C(=O)C[C@@H]3[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)CCCN3C2=O)cc1 | 10.1021/jm010813d | ||
| CHEMBL2115130 | 79232 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 588 | 7 | 3 | 6 | 4.2 | CN(C)c1ccc(N2C(=O)C[C@@H]3[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)CCCN3C2=O)cc1 | 10.1021/jm010813d | ||
| 10078362 | 99317 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 689 | 8 | 5 | 6 | 5.2 | O=C(O)c1cc(NC(=O)C2Cc3ccccc3CCN2C(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/S0960-894X(97)00211-4 | ||
| CHEMBL285305 | 99317 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 689 | 8 | 5 | 6 | 5.2 | O=C(O)c1cc(NC(=O)C2Cc3ccccc3CCN2C(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/S0960-894X(97)00211-4 | ||
| 90663996 | 106329 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 919 | 23 | 9 | 11 | 2.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1cccc(OS(=O)(=O)O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144565 | 106329 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 919 | 23 | 9 | 11 | 2.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1cccc(OS(=O)(=O)O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 10555571 | 104085 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 601 | 8 | 0 | 6 | 5.9 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(C)c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm960249k | ||
| CHEMBL310466 | 104085 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 601 | 8 | 0 | 6 | 5.9 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(C)c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm960249k | ||
| 10555571 | 104085 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 601 | 8 | 0 | 6 | 5.9 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(C)c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL310466 | 104085 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 601 | 8 | 0 | 6 | 5.9 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(C)c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| 15667015 | 161293 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 990 | 29 | 10 | 11 | 2.0 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL414793 | 161293 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 990 | 29 | 10 | 11 | 2.0 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 9985099 | 116762 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 552 | 5 | 3 | 3 | 6.0 | CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2cc(Cl)ccc21 | 10.1021/jm00048a015 | ||
| CHEMBL339515 | 116762 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 552 | 5 | 3 | 3 | 6.0 | CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2cc(Cl)ccc21 | 10.1021/jm00048a015 | ||
| 14208226 | 77460 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 426 | 3 | 2 | 3 | 3.9 | CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL2092871 | 77460 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 426 | 3 | 2 | 3 | 3.9 | CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44280029 | 95981 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 740 | 15 | 6 | 9 | 3.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL262125 | 95981 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 740 | 15 | 6 | 9 | 3.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44381550 | 164670 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 842 | 23 | 11 | 10 | 3.0 | Cc1ccccc1NC(=O)NCCCC[C@@H](CNN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1016/S0960-894X(00)80680-0 | ||
| CHEMBL422919 | 164670 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 842 | 23 | 11 | 10 | 3.0 | Cc1ccccc1NC(=O)NCCCC[C@@H](CNN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1016/S0960-894X(00)80680-0 | ||
| 13822921 | 101144 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 431 | 3 | 1 | 5 | 4.3 | O=C(NC1N=C(c2ccccc2F)c2ccccc2-n2cnnc21)c1ccc(Cl)cc1 | 10.1021/jm00396a028 | ||
| CHEMBL298948 | 101144 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 431 | 3 | 1 | 5 | 4.3 | O=C(NC1N=C(c2ccccc2F)c2ccccc2-n2cnnc21)c1ccc(Cl)cc1 | 10.1021/jm00396a028 | ||
| 14208275 | 67390 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 443 | 3 | 1 | 3 | 4.7 | CN1C(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907849 | 67390 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 443 | 3 | 1 | 3 | 4.7 | CN1C(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14208270 | 67395 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907853 | 67395 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 15167812 | 101713 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 437 | 3 | 1 | 3 | 3.6 | CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)[N+]([O-])=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL302825 | 101713 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 437 | 3 | 1 | 3 | 3.6 | CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)[N+]([O-])=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 10078285 | 120980 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 680 | 12 | 3 | 6 | 5.7 | C[Si](C)(C)CCOC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12 | 10.1016/s0960-894x(98)00677-5 | ||
| CHEMBL358334 | 120980 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 680 | 12 | 3 | 6 | 5.7 | C[Si](C)(C)CCOC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12 | 10.1016/s0960-894x(98)00677-5 | ||
| 44375064 | 52642 | 0 | None | - | 0 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 554 | 10 | 6 | 7 | 4.0 | O=C(O)c1ccc(N/C(S)=N\Nc2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2[N+](=O)[O-])cc1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL159623 | 52642 | 0 | None | - | 0 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 554 | 10 | 6 | 7 | 4.0 | O=C(O)c1ccc(N/C(S)=N\Nc2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2[N+](=O)[O-])cc1 | 10.1016/s0960-894x(01)00044-0 | ||
| 44375437 | 119549 | 0 | None | - | 0 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 506 | 11 | 6 | 7 | 2.3 | O=C(O)CCNS(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL350631 | 119549 | 0 | None | - | 0 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 506 | 11 | 6 | 7 | 2.3 | O=C(O)CCNS(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| 44375447 | 164787 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 610 | 14 | 5 | 7 | 4.6 | O=C(O)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL423630 | 164787 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 610 | 14 | 5 | 7 | 4.6 | O=C(O)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm020424z | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm020424z | ||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00609-9 | ||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00163a069 | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00163a069 | ||
| 155535579 | 171474 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1836 | 71 | 17 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4471871 | 171474 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1836 | 71 | 17 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 10790099 | 205533 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 459 | 7 | 3 | 7 | 4.3 | COc1ccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)cc1 | 10.1021/jm970373j | ||
| CHEMBL9311 | 205533 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 459 | 7 | 3 | 7 | 4.3 | COc1ccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)cc1 | 10.1021/jm970373j | ||
| CHEMBL3143668 | 209423 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/0960-894X(96)00160-6 | ||||
| CHEMBL64605 | 214069 | 6 | None | -4 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00105a068 | ||||
| CHEMBL64605 | 214069 | 6 | None | -4 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00173a006 | ||||
| CHEMBL64605 | 214069 | 6 | None | -4 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80680-0 | ||||
| CHEMBL64605 | 214069 | 6 | None | 4 | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050689o | ||||
| CHEMBL64605 | 214069 | 6 | None | -4 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||||
| 90663193 | 106116 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 739 | 17 | 8 | 9 | 1.7 | CSCC[C@H](NC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm960509y | ||
| CHEMBL3142902 | 106116 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 739 | 17 | 8 | 9 | 1.7 | CSCC[C@H](NC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm960509y | ||
| 44329055 | 206215 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 7 | 3 | 3 | 6.1 | CCc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL97133 | 206215 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 7 | 3 | 3 | 6.1 | CCc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44280215 | 99356 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 756 | 15 | 6 | 10 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL285586 | 99356 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 756 | 15 | 6 | 10 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL64605 | 214069 | 6 | None | -4 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(97)00107-8 | ||||
| 10507109 | 108727 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 561 | 7 | 2 | 4 | 5.3 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm9601664 | ||
| CHEMBL321761 | 108727 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 561 | 7 | 2 | 4 | 5.3 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm9601664 | ||
| 10507109 | 108727 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 561 | 7 | 2 | 4 | 5.3 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm950626d | ||
| CHEMBL321761 | 108727 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 561 | 7 | 2 | 4 | 5.3 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm950626d | ||
| 10626596 | 112271 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 555 | 7 | 1 | 4 | 5.6 | O=C1C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc2N1CC(=O)N(c1ccccc1)C1CC1 | 10.1021/jm970265x | ||
| CHEMBL330566 | 112271 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 555 | 7 | 1 | 4 | 5.6 | O=C1C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc2N1CC(=O)N(c1ccccc1)C1CC1 | 10.1021/jm970265x | ||
| 10507109 | 108727 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 561 | 7 | 2 | 4 | 5.3 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1016/S0960-894X(97)00062-0 | ||
| CHEMBL321761 | 108727 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 561 | 7 | 2 | 4 | 5.3 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1016/S0960-894X(97)00062-0 | ||
| 155519400 | 169855 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1409 | 38 | 15 | 21 | -2.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)n1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1 | 10.1021/acs.jmedchem.9b01936 | ||
| CHEMBL4448553 | 169855 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1409 | 38 | 15 | 21 | -2.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)n1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1 | 10.1021/acs.jmedchem.9b01936 | ||
| 10649296 | 30545 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 507 | 6 | 4 | 4 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCCC[C@@H]1O | 10.1021/jm970065l | ||
| CHEMBL139601 | 30545 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 507 | 6 | 4 | 4 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCCC[C@@H]1O | 10.1021/jm970065l | ||
| CHEMBL382051 | 210536 | 0 | None | -131 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 10325426 | 107102 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 557 | 10 | 3 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL318963 | 107102 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 557 | 10 | 3 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1016/S0960-894X(01)80769-1 | ||
| 155516160 | 169480 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1399 | 39 | 16 | 19 | -2.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| CHEMBL4443016 | 169480 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1399 | 39 | 16 | 19 | -2.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| 73351327 | 81999 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL217424 | 81999 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 10073533 | 22339 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 472 | 7 | 3 | 5 | 3.5 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCC(=O)O)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL132603 | 22339 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 472 | 7 | 3 | 5 | 3.5 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCC(=O)O)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44376191 | 164762 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 452 | 4 | 3 | 6 | 2.8 | CN1C(=O)[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| CHEMBL423472 | 164762 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 452 | 4 | 3 | 6 | 2.8 | CN1C(=O)[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| 19766168 | 59230 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 367 | 4 | 3 | 3 | 2.5 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)O)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL171722 | 59230 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 367 | 4 | 3 | 3 | 2.5 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)O)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL290444 | 209122 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CCS[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 44382487 | 165073 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 518 | 10 | 4 | 4 | 2.7 | CC(C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||
| CHEMBL424370 | 165073 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 518 | 10 | 4 | 4 | 2.7 | CC(C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||
| 9988264 | 109222 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 888 | 22 | 9 | 8 | 3.5 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL322955 | 109222 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 888 | 22 | 9 | 8 | 3.5 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| 14208241 | 67394 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL1907852 | 67394 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| 44381562 | 168038 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 827 | 22 | 10 | 9 | 3.5 | Cc1ccccc1NC(=O)NCCCC[C@H](NNC[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80680-0 | ||
| CHEMBL436053 | 168038 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 827 | 22 | 10 | 9 | 3.5 | Cc1ccccc1NC(=O)NCCCC[C@H](NNC[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80680-0 | ||
| CHEMBL328422 | 209540 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | None | None | None | Cc1cccc(C)c1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| 3960 | 2303 | 20 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC | 10.1021/jm00079a003 | ||
| 891 | 2303 | 20 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC | 10.1021/jm00079a003 | ||
| CHEMBL24938 | 2303 | 20 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC | 10.1021/jm00079a003 | ||
| 13953692 | 101238 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 407 | 3 | 1 | 4 | 5.0 | Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nncn2-c2ccccc21 | 10.1021/jm00396a028 | ||
| CHEMBL299538 | 101238 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 407 | 3 | 1 | 4 | 5.0 | Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nncn2-c2ccccc21 | 10.1021/jm00396a028 | ||
| 14208220 | 202815 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 365 | 6 | 1 | 5 | 1.5 | CCOC(=O)CN1C(=O)C(NC=O)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL72738 | 202815 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 365 | 6 | 1 | 5 | 1.5 | CCOC(=O)CN1C(=O)C(NC=O)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14208213 | 202892 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 362 | 3 | 3 | 3 | 2.7 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccc[nH]1 | 10.1021/jm00120a002 | ||
| CHEMBL73272 | 202892 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 362 | 3 | 3 | 3 | 2.7 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccc[nH]1 | 10.1021/jm00120a002 | ||
| 5279119 | 203035 | 1 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 423 | 3 | 2 | 3 | 4.5 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00120a002 | ||
| CHEMBL74515 | 203035 | 1 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 423 | 3 | 2 | 3 | 4.5 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00120a002 | ||
| 44366107 | 171143 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 649 | 16 | 6 | 6 | 3.8 | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)NCCc1ccccc1 | 10.1021/jm00123a003 | ||
| CHEMBL446693 | 171143 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 649 | 16 | 6 | 6 | 3.8 | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)NCCc1ccccc1 | 10.1021/jm00123a003 | ||
| 14154723 | 89076 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 636 | 14 | 7 | 6 | 3.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)NC(=O)NCc1ccccc1 | 10.1021/jm00388a002 | ||
| CHEMBL2373213 | 89076 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 636 | 14 | 7 | 6 | 3.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)NC(=O)NCc1ccccc1 | 10.1021/jm00388a002 | ||
| 10348659 | 1766 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 604 | 8 | 2 | 5 | 5.4 | O=C(NC1C(=O)N(c2ccccc2)c2c(N(C1=O)CC(=O)N(c1ccc(cc1)N(C)C)C(C)C)cccc2)Nc1ccccc1 | 10.1021/jm950626d | ||
| 866 | 1766 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 604 | 8 | 2 | 5 | 5.4 | O=C(NC1C(=O)N(c2ccccc2)c2c(N(C1=O)CC(=O)N(c1ccc(cc1)N(C)C)C(C)C)cccc2)Nc1ccccc1 | 10.1021/jm950626d | ||
| CHEMBL1184355 | 1766 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 604 | 8 | 2 | 5 | 5.4 | O=C(NC1C(=O)N(c2ccccc2)c2c(N(C1=O)CC(=O)N(c1ccc(cc1)N(C)C)C(C)C)cccc2)Nc1ccccc1 | 10.1021/jm950626d | ||
| 10841358 | 205677 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 605 | 8 | 1 | 5 | 6.0 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ccc(F)cc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL94005 | 205677 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 605 | 8 | 1 | 5 | 6.0 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ccc(F)cc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| 44280233 | 98738 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 672 | 13 | 3 | 5 | 5.1 | CN(Cc1ccccc1)C(=O)[C@@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL281490 | 98738 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 672 | 13 | 3 | 5 | 5.1 | CN(Cc1ccccc1)C(=O)[C@@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44280028 | 98707 | 0 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 768 | 17 | 6 | 9 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL281318 | 98707 | 0 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 768 | 17 | 6 | 9 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44344743 | 163009 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 555 | 11 | 4 | 3 | 5.3 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)CC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm000937a | ||
| CHEMBL420320 | 163009 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 555 | 11 | 4 | 3 | 5.3 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)CC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm000937a | ||
| 904 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 9915756 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL2111204 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL356898 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 904 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/s0960-894x(98)00677-5 | ||
| 9915756 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/s0960-894x(98)00677-5 | ||
| CHEMBL2111204 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/s0960-894x(98)00677-5 | ||
| CHEMBL356898 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1016/s0960-894x(98)00677-5 | ||
| 44210425 | 164731 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 439 | 5 | 2 | 5 | 3.5 | COc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL423278 | 164731 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 439 | 5 | 2 | 5 | 3.5 | COc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 10623881 | 205853 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 461 | 6 | 3 | 7 | 3.9 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(F)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL9501 | 205853 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 461 | 6 | 3 | 7 | 3.9 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(F)c2)c1 | 10.1021/jm970373j | ||
| 195737 | 123134 | 5 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 423 | 6 | 1 | 4 | 5.4 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00092a003 | ||
| CHEMBL36206 | 123134 | 5 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 423 | 6 | 1 | 4 | 5.4 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00092a003 | ||
| 195737 | 123134 | 5 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 423 | 6 | 1 | 4 | 5.4 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL36206 | 123134 | 5 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 423 | 6 | 1 | 4 | 5.4 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 10252412 | 25553 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 435 | 3 | 2 | 4 | 4.2 | CN1C(=O)C(NC(=O)Nc2ccc3ccccc3n2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL135289 | 25553 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 435 | 3 | 2 | 4 | 4.2 | CN1C(=O)C(NC(=O)Nc2ccc3ccccc3n2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 11753772 | 25771 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 455 | 6 | 2 | 4 | 3.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCN(C)C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL135447 | 25771 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 455 | 6 | 2 | 4 | 3.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCN(C)C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 10047411 | 28378 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 414 | 4 | 2 | 4 | 3.7 | COc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 | 10.1021/jm00078a018 | ||
| CHEMBL137684 | 28378 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 414 | 4 | 2 | 4 | 3.7 | COc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 | 10.1021/jm00078a018 | ||
| 44356726 | 116269 | 6 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 428 | 3 | 2 | 5 | 3.4 | CN1C(=O)C(NC(=O)Nc2ccc3c(c2)OCO3)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL337733 | 116269 | 6 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 428 | 3 | 2 | 5 | 3.4 | CN1C(=O)C(NC(=O)Nc2ccc3c(c2)OCO3)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10767360 | 204120 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 489 | 5 | 2 | 4 | 5.2 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@H]2CCC(C)(C)CCN2C)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL83591 | 204120 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 489 | 5 | 2 | 4 | 5.2 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@H]2CCC(C)(C)CCN2C)c2ccccc21 | 10.1021/jm9608523 | ||
| 44281020 | 116131 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 773 | 16 | 4 | 8 | 6.2 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33698 | 116131 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 773 | 16 | 4 | 8 | 6.2 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 15282007 | 167734 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 472 | 5 | 3 | 5 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3c[nH]cn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL434126 | 167734 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 472 | 5 | 3 | 5 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3c[nH]cn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 5311205 | 12968 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(N3CC4CCC(CC4)C3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| CHEMBL1190319 | 12968 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(N3CC4CCC(CC4)C3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| CHEMBL540596 | 12968 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(N3CC4CCC(CC4)C3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| 904 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 9915756 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL2111204 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL356898 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3142692 | 209376 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(Cl)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| 15689727 | 106098 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 880 | 20 | 9 | 8 | 4.6 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142690 | 106098 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 880 | 20 | 9 | 8 | 4.6 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 44381925 | 12728 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 538 | 11 | 2 | 4 | 4.5 | CCN(CC)CCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL1188615 | 12728 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 538 | 11 | 2 | 4 | 4.5 | CCN(CC)CCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL536938 | 12728 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 538 | 11 | 2 | 4 | 4.5 | CCN(CC)CCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| 13809511 | 101811 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 512 | 6 | 2 | 5 | 4.1 | CN1C(=O)C(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL303386 | 101811 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 512 | 6 | 2 | 5 | 4.1 | CN1C(=O)C(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 10524785 | 205835 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 396 | 4 | 3 | 6 | 3.4 | N#Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccccc2)c1 | 10.1021/jm970373j | ||
| CHEMBL9492 | 205835 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 396 | 4 | 3 | 6 | 3.4 | N#Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccccc2)c1 | 10.1021/jm970373j | ||
| 44283081 | 99396 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 500 | 9 | 3 | 3 | 6.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(O)CCCc1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL2112071 | 99396 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 500 | 9 | 3 | 3 | 6.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(O)CCCc1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL285880 | 99396 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 500 | 9 | 3 | 3 | 6.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(O)CCCc1ccccc1 | 10.1021/jm00086a017 | ||
| 10721792 | 167212 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC(C)N(C(=O)CN1C(=O)C(C)(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960249k | ||
| CHEMBL430451 | 167212 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC(C)N(C(=O)CN1C(=O)C(C)(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960249k | ||
| 20063261 | 22908 | 12 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 3 | 2 | 3 | 4.3 | Cc1cc(C)cc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL133087 | 22908 | 12 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 3 | 2 | 3 | 4.3 | Cc1cc(C)cc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44280893 | 98766 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 652 | 13 | 4 | 5 | 5.0 | CC(C)(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL281671 | 98766 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 652 | 13 | 4 | 5 | 5.0 | CC(C)(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 10625001 | 28950 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 7 | 4 | 4 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CO)CCCC1 | 10.1021/jm970065l | ||
| CHEMBL138190 | 28950 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 7 | 4 | 4 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CO)CCCC1 | 10.1021/jm970065l | ||
| CHEMBL383458 | 210556 | 0 | None | -4 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 73354294 | 106472 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 636 | 11 | 6 | 5 | 4.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(=O)(O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL315055 | 106472 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 636 | 11 | 6 | 5 | 4.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(=O)(O)O)c1ccccc1 | 10.1021/jm00092a007 | ||
| 19756868 | 28190 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 409 | 3 | 2 | 4 | 3.5 | CN1C(=O)C(NC(=O)Nc2cccc(C#N)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL137520 | 28190 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 409 | 3 | 2 | 4 | 3.5 | CN1C(=O)C(NC(=O)Nc2cccc(C#N)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44281078 | 99269 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 773 | 16 | 4 | 8 | 5.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL284975 | 99269 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 773 | 16 | 4 | 8 | 5.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL318475 | 209457 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)O | 10.1016/S0960-894X(96)00546-X | ||||
| 44210425 | 164731 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 439 | 5 | 2 | 5 | 3.5 | COc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL423278 | 164731 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 439 | 5 | 2 | 5 | 3.5 | COc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 10626598 | 51485 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 555 | 8 | 3 | 5 | 5.4 | COC(=O)/C(=C/c1ccccc1)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(01)81250-6 | ||
| CHEMBL158491 | 51485 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 555 | 8 | 3 | 5 | 5.4 | COC(=O)/C(=C/c1ccccc1)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(01)81250-6 | ||
| 44333341 | 107287 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 448 | 4 | 2 | 5 | 2.9 | CCCN1C(=O)[C@@H](NC(=O)Nc2cccc(C)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL319180 | 107287 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 448 | 4 | 2 | 5 | 2.9 | CCCN1C(=O)[C@@H](NC(=O)Nc2cccc(C)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| 443375 | 205862 | 40 | None | 2 | 5 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm000937a | ||
| CHEMBL9506 | 205862 | 40 | None | 2 | 5 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm000937a | ||
| 5279169 | 25979 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 404 | 3 | 3 | 3 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2NC1=O | 10.1021/jm00078a018 | ||
| CHEMBL135715 | 25979 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 404 | 3 | 3 | 3 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2NC1=O | 10.1021/jm00078a018 | ||
| 44381949 | 120199 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 474 | 3 | 3 | 4 | 4.6 | CN1C(=O)[C@H](NC(=O)Nc2cc3c4ccccc4nc-3c[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL354802 | 120199 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 474 | 3 | 3 | 4 | 4.6 | CN1C(=O)[C@H](NC(=O)Nc2cc3c4ccccc4nc-3c[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80684-8 | ||
| 9985667 | 162797 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 580 | 9 | 4 | 5 | 3.9 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12 | 10.1021/jm000959x | ||
| CHEMBL419237 | 162797 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 580 | 9 | 4 | 5 | 3.9 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12 | 10.1021/jm000959x | ||
| 9985667 | 162797 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 580 | 9 | 4 | 5 | 3.9 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12 | 10.1016/s0960-894x(98)00677-5 | ||
| CHEMBL419237 | 162797 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 580 | 9 | 4 | 5 | 3.9 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12 | 10.1016/s0960-894x(98)00677-5 | ||
| 14991568 | 100231 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 847 | 20 | 8 | 8 | 4.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL292519 | 100231 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 847 | 20 | 8 | 8 | 4.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44349298 | 16435 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 429 | 8 | 3 | 4 | 3.5 | CC(C)c1ccc(C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2)cc1 | 10.1021/jm00079a003 | ||
| CHEMBL124155 | 16435 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 429 | 8 | 3 | 4 | 3.5 | CC(C)c1ccc(C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2)cc1 | 10.1021/jm00079a003 | ||
| CHEMBL328422 | 209540 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | None | None | None | Cc1cccc(C)c1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00173a006 | ||||
| 15104598 | 109282 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 481 | 13 | 2 | 2 | 6.4 | CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 | 10.1021/jm00116a002 | ||
| CHEMBL323245 | 109282 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 481 | 13 | 2 | 2 | 6.4 | CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 | 10.1021/jm00116a002 | ||
| 52949124 | 861 | 2 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 44396745 | 124505 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 623 | 8 | 2 | 6 | 5.5 | CN(C)c1ccc(N2C(=O)CC3[C@H](N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC4C5CC6CC(C5)CC4C6)CCCN3C2=O)cc1 | 10.1021/jm0498755 | ||
| CHEMBL364334 | 124505 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 623 | 8 | 2 | 6 | 5.5 | CN(C)c1ccc(N2C(=O)CC3[C@H](N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC4C5CC6CC(C5)CC4C6)CCCN3C2=O)cc1 | 10.1021/jm0498755 | ||
| 44329324 | 106820 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 594 | 7 | 3 | 3 | 7.2 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL317366 | 106820 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 594 | 7 | 3 | 3 | 7.2 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 14208225 | 67397 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 426 | 3 | 2 | 3 | 3.9 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907855 | 67397 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 426 | 3 | 2 | 3 | 3.9 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14843049 | 100000 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 6.0 | CCc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| CHEMBL290897 | 100000 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 6.0 | CCc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| 44329519 | 107788 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 594 | 6 | 3 | 3 | 6.6 | Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL319748 | 107788 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 594 | 6 | 3 | 3 | 6.6 | Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44329363 | 108204 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 594 | 7 | 3 | 3 | 7.2 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)Nc3ccccc3Cl)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL320821 | 108204 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 594 | 7 | 3 | 3 | 7.2 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)Nc3ccccc3Cl)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44329384 | 206580 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 556 | 7 | 3 | 4 | 5.6 | COc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL99289 | 206580 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 556 | 7 | 3 | 4 | 5.6 | COc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 | 10.1016/S0960-894X(01)80832-5 | ||
| 10477146 | 78089 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL2111920 | 78089 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 9887120 | 202417 | 3 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL70380 | 202417 | 3 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44211353 | 58729 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 552 | 9 | 2 | 5 | 3.5 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NCCN1CCOCC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL169453 | 58729 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 552 | 9 | 2 | 5 | 3.5 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NCCN1CCOCC1 | 10.1016/S0960-894X(00)80681-2 | ||
| 15719750 | 78059 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 446 | 9 | 3 | 3 | 4.0 | O=C(O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00079a003 | ||
| CHEMBL2111825 | 78059 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 446 | 9 | 3 | 3 | 4.0 | O=C(O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00079a003 | ||
| 10156187 | 102619 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 373 | 3 | 2 | 3 | 3.4 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1 | 10.1021/jm00120a002 | ||
| CHEMBL307659 | 102619 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 373 | 3 | 2 | 3 | 3.4 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1 | 10.1021/jm00120a002 | ||
| 44349277 | 113536 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 382 | 12 | 3 | 3 | 3.4 | CCCCCCCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL332674 | 113536 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 382 | 12 | 3 | 3 | 3.4 | CCCCCCCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| 10531224 | 167427 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 575 | 7 | 2 | 4 | 5.7 | CC(C)N(C(=O)CN1C(=O)C(C)(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960205b | ||
| CHEMBL432015 | 167427 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 575 | 7 | 2 | 4 | 5.7 | CC(C)N(C(=O)CN1C(=O)C(C)(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960205b | ||
| 10531224 | 167427 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 575 | 7 | 2 | 4 | 5.7 | CC(C)N(C(=O)CN1C(=O)C(C)(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/acs.jmedchem.0c00829 | ||
| CHEMBL432015 | 167427 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 575 | 7 | 2 | 4 | 5.7 | CC(C)N(C(=O)CN1C(=O)C(C)(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/acs.jmedchem.0c00829 | ||
| 44303526 | 201445 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 708 | 14 | 4 | 6 | 6.3 | O=C(CCC(=O)OCc1ccccc1)N[C@@H](CNC(=O)C(Cc1c[nH]c2ccc(F)cc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL64155 | 201445 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 708 | 14 | 4 | 6 | 6.3 | O=C(CCC(=O)OCc1ccccc1)N[C@@H](CNC(=O)C(Cc1c[nH]c2ccc(F)cc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 10528465 | 96590 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 7 | 4 | 7 | 4.0 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(C(=O)O)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL267023 | 96590 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 7 | 4 | 7 | 4.0 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(C(=O)O)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 5311201 | 205653 | 30 | None | -26 | 6 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 5311201 | 205653 | 30 | None | -26 | 6 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL9387 | 205653 | 30 | None | -26 | 6 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL9387 | 205653 | 30 | None | -26 | 6 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm058225d | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm058225d | ||
| 11540160 | 71089 | 0 | None | - | 3 | Dog | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 475 | 7 | 3 | 3 | 6.6 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL196133 | 71089 | 0 | None | - | 3 | Dog | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 475 | 7 | 3 | 3 | 6.6 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 44300550 | 100416 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 376 | 3 | 2 | 3 | 3.7 | Cc1cccc(NC(=O)NC2N=C(C3CCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(01)80987-2 | ||
| CHEMBL293786 | 100416 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 376 | 3 | 2 | 3 | 3.7 | Cc1cccc(NC(=O)NC2N=C(C3CCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(01)80987-2 | ||
| 44279811 | 96464 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL265987 | 96464 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44280372 | 98915 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 787 | 17 | 4 | 8 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL282645 | 98915 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 787 | 17 | 4 | 8 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44403829 | 71093 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm058225d | ||
| CHEMBL196143 | 71093 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm058225d | ||
| 15689736 | 106105 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 862 | 20 | 9 | 8 | 4.5 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC/N=C(\S)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142702 | 106105 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 862 | 20 | 9 | 8 | 4.5 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC/N=C(\S)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 14208241 | 67394 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL1907852 | 67394 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| 14208221 | 79123 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 530 | 6 | 2 | 5 | 4.2 | CN1C(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL2114102 | 79123 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 530 | 6 | 2 | 5 | 4.2 | CN1C(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 10454890 | 154591 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL40211 | 154591 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 90663986 | 106320 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 857 | 21 | 8 | 8 | 3.9 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(Cl)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144555 | 106320 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 857 | 21 | 8 | 8 | 3.9 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(Cl)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44349326 | 16570 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 402 | 8 | 3 | 3 | 3.5 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1Cl | 10.1021/jm00079a003 | ||
| CHEMBL124378 | 16570 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 402 | 8 | 3 | 3 | 3.5 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1Cl | 10.1021/jm00079a003 | ||
| 14208244 | 58545 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL168852 | 58545 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80684-8 | ||
| 14208215 | 103310 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 405 | 3 | 2 | 3 | 4.4 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc2ccccc12 | 10.1021/jm00120a002 | ||
| CHEMBL309017 | 103310 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 405 | 3 | 2 | 3 | 4.4 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc2ccccc12 | 10.1021/jm00120a002 | ||
| 14208234 | 202983 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 428 | 3 | 4 | 4 | 3.6 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2cc(O)ccc2[nH]1 | 10.1021/jm00120a002 | ||
| CHEMBL74066 | 202983 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 428 | 3 | 4 | 4 | 3.6 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2cc(O)ccc2[nH]1 | 10.1021/jm00120a002 | ||
| 44280179 | 102534 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 601 | 11 | 3 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(CCc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30696 | 102534 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 601 | 11 | 3 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(CCc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| 44283500 | 138720 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 516 | 9 | 3 | 5 | 4.8 | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)OC(CO)Cc1ccccc1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL37903 | 138720 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 516 | 9 | 3 | 5 | 4.8 | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)OC(CO)Cc1ccccc1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 10817241 | 106625 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 591 | 8 | 1 | 5 | 5.6 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3[nH]nc4c3CCCC4)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL316077 | 106625 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 591 | 8 | 1 | 5 | 5.6 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3[nH]nc4c3CCCC4)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| 10555804 | 111095 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 616 | 9 | 1 | 5 | 6.3 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3c[nH]c4ccccc34)(OC)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL328285 | 111095 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 616 | 9 | 1 | 5 | 6.3 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3c[nH]c4ccccc34)(OC)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| 44280895 | 167522 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 652 | 15 | 3 | 5 | 5.1 | CCCN(CCC)C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL432679 | 167522 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 652 | 15 | 3 | 5 | 5.1 | CCCN(CCC)C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL274661 | 209060 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)OCCc1ccccc1 | 10.1021/jm00072a024 | ||||
| 10409534 | 28013 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 414 | 4 | 2 | 4 | 3.7 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL137398 | 28013 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 414 | 4 | 2 | 4 | 3.7 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44280252 | 99378 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 655 | 11 | 5 | 8 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL285746 | 99378 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 655 | 11 | 5 | 8 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 11799359 | 28823 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 6 | 4 | 4 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCC[C@H]1O | 10.1021/jm970065l | ||
| CHEMBL138084 | 28823 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 6 | 4 | 4 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCC[C@H]1O | 10.1021/jm970065l | ||
| 104929 | 2180 | 8 | None | 51 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm00121a004 | ||
| 3477 | 2180 | 8 | None | 51 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm00121a004 | ||
| 879 | 2180 | 8 | None | 51 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm00121a004 | ||
| CHEMBL289498 | 2180 | 8 | None | 51 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm00121a004 | ||
| 15667016 | 85677 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 960 | 25 | 9 | 11 | 1.0 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL2310856 | 85677 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 960 | 25 | 9 | 11 | 1.0 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 14888734 | 167272 | 0 | None | - | 0 | Bovine | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1012 | 29 | 10 | 13 | 0.8 | CSCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| CHEMBL430906 | 167272 | 0 | None | - | 0 | Bovine | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1012 | 29 | 10 | 13 | 0.8 | CSCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| 10768071 | 9726 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 512 | 6 | 3 | 5 | 4.3 | CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm960669+ | ||
| CHEMBL113988 | 9726 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 512 | 6 | 3 | 5 | 4.3 | CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm960669+ | ||
| 10435698 | 140864 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 490 | 6 | 2 | 5 | 4.2 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL38404 | 140864 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 490 | 6 | 2 | 5 | 4.2 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL34554 | 209952 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCS[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 10435698 | 140864 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 490 | 6 | 2 | 5 | 4.2 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL38404 | 140864 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 490 | 6 | 2 | 5 | 4.2 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL59865 | 214029 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN | 10.1016/S0960-894X(01)81005-2 | ||||
| 56666696 | 63671 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1450 | 45 | 14 | 23 | -2.8 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||
| CHEMBL1807149 | 63671 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1450 | 45 | 14 | 23 | -2.8 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||
| 15667013 | 106909 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 920 | 26 | 10 | 11 | 0.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL318010 | 106909 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 920 | 26 | 10 | 11 | 0.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 14802510 | 114606 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 629 | 13 | 4 | 6 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](COC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL334346 | 114606 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 629 | 13 | 4 | 6 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](COC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| 10051647 | 116769 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 5 | 3 | 3 | 5.2 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2C(C)C | 10.1021/jm00048a015 | ||
| CHEMBL339547 | 116769 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 5 | 3 | 3 | 5.2 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2C(C)C | 10.1021/jm00048a015 | ||
| 71456223 | 78341 | 0 | None | - | 0 | Bovine | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1006 | 25 | 11 | 11 | 1.8 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| CHEMBL2112635 | 78341 | 0 | None | - | 0 | Bovine | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1006 | 25 | 11 | 11 | 1.8 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| 44368298 | 120502 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 613 | 13 | 4 | 5 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](COC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL356599 | 120502 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 613 | 13 | 4 | 5 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](COC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 10481933 | 13170 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 524 | 5 | 2 | 5 | 3.1 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL1191818 | 13170 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 524 | 5 | 2 | 5 | 3.1 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL542967 | 13170 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 524 | 5 | 2 | 5 | 3.1 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 | 10.1021/jm00078a018 | ||
| 10673078 | 28859 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 6 | 3 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C#N | 10.1021/jm970065l | ||
| CHEMBL138112 | 28859 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 6 | 3 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C#N | 10.1021/jm970065l | ||
| CHEMBL1806528 | 207221 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||||
| 54695534 | 3718 | 4 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 570 | 2 | 3 | 8 | 4.5 | OC1C/C=C/CC(C)C2C(SCC2C(=O)C2=C(OC3(C(C/C=C/C=C/C1)C=C(C)C(C3)C)C2=O)O)C(=O)C(=O)O | 10.1021/np500757w | ||
| 910 | 3718 | 4 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 570 | 2 | 3 | 8 | 4.5 | OC1C/C=C/CC(C)C2C(SCC2C(=O)C2=C(OC3(C(C/C=C/C=C/C1)C=C(C)C(C3)C)C2=O)O)C(=O)C(=O)O | 10.1021/np500757w | ||
| CHEMBL3576924 | 3718 | 4 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 570 | 2 | 3 | 8 | 4.5 | OC1C/C=C/CC(C)C2C(SCC2C(=O)C2=C(OC3(C(C/C=C/C=C/C1)C=C(C)C(C3)C)C2=O)O)C(=O)C(=O)O | 10.1021/np500757w | ||
| 104929 | 2180 | 8 | None | -165 | 3 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1039/C7MD00171A | ||
| 3477 | 2180 | 8 | None | -165 | 3 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1039/C7MD00171A | ||
| 879 | 2180 | 8 | None | -165 | 3 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1039/C7MD00171A | ||
| CHEMBL289498 | 2180 | 8 | None | -165 | 3 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1039/C7MD00171A | ||
| 10347746 | 16607 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 558 | 6 | 3 | 3 | 6.2 | CC1(NC(=O)CN2C(=O)[C@H](NC(=O)Nc3cccc(Cl)c3)C[C@H](c3ccccc3)c3ccccc32)CCCCC1 | 10.1021/jm00048a015 | ||
| CHEMBL124611 | 16607 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 558 | 6 | 3 | 3 | 6.2 | CC1(NC(=O)CN2C(=O)[C@H](NC(=O)Nc3cccc(Cl)c3)C[C@H](c3ccccc3)c3ccccc32)CCCCC1 | 10.1021/jm00048a015 | ||
| 10029582 | 26943 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 4.5 | CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL136608 | 26943 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 4.5 | CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10004579 | 78092 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 2 | 3 | 4.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(Br)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL2111923 | 78092 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 2 | 3 | 4.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(Br)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 43811299 | 116147 | 11 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 452 | 3 | 2 | 3 | 4.7 | CN1C(=O)C(NC(=O)Nc2cccc(C(F)(F)F)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL337055 | 116147 | 11 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 452 | 3 | 2 | 3 | 4.7 | CN1C(=O)C(NC(=O)Nc2cccc(C(F)(F)F)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL408330 | 210948 | 0 | None | -1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 44373740 | 119374 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 569 | 8 | 3 | 5 | 5.2 | COC(=O)[C@@]1(NC(=O)[C@@](C)(Cc2c[nH]c3ccccc23)NC(=O)OC2C3CC4CC(C3)CC2C4)C[C@H]1c1ccccc1 | 10.1016/S0960-894X(01)81250-6 | ||
| CHEMBL349079 | 119374 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 569 | 8 | 3 | 5 | 5.2 | COC(=O)[C@@]1(NC(=O)[C@@](C)(Cc2c[nH]c3ccccc23)NC(=O)OC2C3CC4CC(C3)CC2C4)C[C@H]1c1ccccc1 | 10.1016/S0960-894X(01)81250-6 | ||
| 44368521 | 46018 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 576 | 12 | 5 | 5 | 4.6 | C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL153557 | 46018 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 576 | 12 | 5 | 5 | 4.6 | C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL2372294 | 208457 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CS[C@H]1C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)N(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)C1 | 10.1021/jm00001a019 | ||||
| CHEMBL34853 | 209958 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CCS[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 44333048 | 168680 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1032 | 28 | 10 | 11 | 3.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1021/jm00072a024 | ||
| CHEMBL441165 | 168680 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1032 | 28 | 10 | 11 | 3.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1021/jm00072a024 | ||
| 44331865 | 4194 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 538 | 12 | 3 | 4 | 3.9 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CC(=O)N1CCC[C@H]1C(=O)O)CC1CCCCC1 | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL100604 | 4194 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 538 | 12 | 3 | 4 | 3.9 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CC(=O)N1CCC[C@H]1C(=O)O)CC1CCCCC1 | 10.1016/S0960-894X(96)00546-X | ||
| 10391769 | 17541 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 514 | 6 | 3 | 4 | 4.7 | COc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1021/jm00048a015 | ||
| CHEMBL125863 | 17541 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 514 | 6 | 3 | 4 | 4.7 | COc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1021/jm00048a015 | ||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL37983 | 210509 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CS[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| 10432393 | 99869 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 422 | 3 | 3 | 3 | 4.4 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O | 10.1021/jm00121a004 | ||
| CHEMBL289533 | 99869 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 422 | 3 | 3 | 3 | 4.4 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O | 10.1021/jm00121a004 | ||
| CHEMBL431116 | 211865 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00388a002 | ||||
| 10341724 | 78091 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 414 | 4 | 2 | 4 | 3.7 | COc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL2111922 | 78091 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 414 | 4 | 2 | 4 | 3.7 | COc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 15637183 | 118721 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 531 | 7 | 3 | 5 | 4.1 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)CN2CCCC2)C1=O | 10.1021/jm00078a018 | ||
| CHEMBL343513 | 118721 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 531 | 7 | 3 | 5 | 4.1 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)CN2CCCC2)C1=O | 10.1021/jm00078a018 | ||
| 14991570 | 201118 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 943 | 22 | 9 | 11 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccc2cc(OS(=O)(=O)O)ccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL62345 | 201118 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 943 | 22 | 9 | 11 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccc2cc(OS(=O)(=O)O)ccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44349383 | 16573 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 480 | 9 | 3 | 3 | 4.7 | O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00079a003 | ||
| CHEMBL124396 | 16573 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 480 | 9 | 3 | 3 | 4.7 | O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00079a003 | ||
| 44349028 | 116706 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 7 | 3 | 4 | 3.5 | O=C(O)CCC(NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL339453 | 116706 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 7 | 3 | 4 | 3.5 | O=C(O)CCC(NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL285995 | 99417 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 741 | 16 | 6 | 11 | 4.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCNCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44334704 | 4535 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 499 | 9 | 2 | 4 | 4.8 | Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL102862 | 4535 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 499 | 9 | 2 | 4 | 4.8 | Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 44332066 | 4433 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 546 | 13 | 3 | 4 | 3.5 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCc1ccccc1)CC(=O)N1CCCC1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL102184 | 4433 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 546 | 13 | 3 | 4 | 3.5 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCc1ccccc1)CC(=O)N1CCCC1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| 15689724 | 106103 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 880 | 20 | 9 | 8 | 4.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142696 | 106103 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 880 | 20 | 9 | 8 | 4.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 15689726 | 106099 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 880 | 20 | 9 | 8 | 4.6 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(Cl)c1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142691 | 106099 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 880 | 20 | 9 | 8 | 4.6 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(Cl)c1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 10079315 | 167294 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 859 | 21 | 9 | 7 | 4.2 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL431065 | 167294 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 859 | 21 | 9 | 7 | 4.2 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| 13822924 | 101461 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 4.2 | O=C(NC1N=C(c2ccccc2F)c2ccccc2-n2cnnc21)OCc1ccccc1 | 10.1021/jm00396a028 | ||
| CHEMBL301172 | 101461 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 4.2 | O=C(NC1N=C(c2ccccc2F)c2ccccc2-n2cnnc21)OCc1ccccc1 | 10.1021/jm00396a028 | ||
| 13605417 | 205824 | 3 | None | - | 1 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/S0960-894X(00)80687-3 | ||
| CHEMBL9485 | 205824 | 3 | None | - | 1 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/S0960-894X(00)80687-3 | ||
| 10453004 | 25905 | 6 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 390 | 3 | 2 | 3 | 3.5 | CN1C(=O)C(NC(=O)NC2CCCCC2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL135618 | 25905 | 6 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 390 | 3 | 2 | 3 | 3.5 | CN1C(=O)C(NC(=O)NC2CCCCC2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 14991576 | 101731 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 866 | 21 | 9 | 9 | 3.4 | COc1ccc2[nH]c(C(=O)NCCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)cc2c1 | 10.1021/jm00089a010 | ||
| CHEMBL302911 | 101731 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 866 | 21 | 9 | 9 | 3.4 | COc1ccc2[nH]c(C(=O)NCCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)cc2c1 | 10.1021/jm00089a010 | ||
| 14991535 | 106299 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 841 | 22 | 9 | 9 | 2.9 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1cccc(O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144534 | 106299 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 841 | 22 | 9 | 9 | 2.9 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1cccc(O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 90663978 | 106308 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 883 | 23 | 8 | 10 | 3.3 | COc1ccc(/C=C\C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(OC)c1 | 10.1021/jm00089a010 | ||
| CHEMBL3144542 | 106308 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 883 | 23 | 8 | 10 | 3.3 | COc1ccc(/C=C\C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(OC)c1 | 10.1021/jm00089a010 | ||
| 14991582 | 199554 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 871 | 21 | 7 | 8 | 4.3 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C/c1ccc(Cl)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL60385 | 199554 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 871 | 21 | 7 | 8 | 4.3 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C/c1ccc(Cl)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 3960 | 2303 | 20 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC | 10.1021/jm00079a003 | ||
| 891 | 2303 | 20 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC | 10.1021/jm00079a003 | ||
| CHEMBL24938 | 2303 | 20 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC | 10.1021/jm00079a003 | ||
| 71449051 | 78061 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL2111827 | 78061 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44349077 | 117325 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1cc(Cl)cc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL340263 | 117325 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1cc(Cl)cc(Cl)c1 | 10.1021/jm00079a003 | ||
| 14208250 | 167476 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)C(NC(=O)c2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL432334 | 167476 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)C(NC(=O)c2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 9865694 | 202466 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 399 | 3 | 2 | 2 | 5.2 | O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1Cc1c[nH]c2ccccc12 | 10.1021/jm00120a002 | ||
| CHEMBL70728 | 202466 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 399 | 3 | 2 | 2 | 5.2 | O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1Cc1c[nH]c2ccccc12 | 10.1021/jm00120a002 | ||
| 44366097 | 121441 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)NC(Cc1ccccc1)C(N)=O | 10.1021/jm00123a003 | ||
| CHEMBL359141 | 121441 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)NC(Cc1ccccc1)C(N)=O | 10.1021/jm00123a003 | ||
| 15614750 | 118805 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 426 | 4 | 3 | 3 | 3.9 | O=C(NCC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 | 10.1021/jm00163a069 | ||
| CHEMBL344154 | 118805 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 426 | 4 | 3 | 3 | 3.9 | O=C(NCC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 | 10.1021/jm00163a069 | ||
| 10509945 | 88940 | 0 | None | - | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 896 | 26 | 9 | 9 | 2.1 | CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL2369816 | 88940 | 0 | None | - | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 896 | 26 | 9 | 9 | 2.1 | CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 46235271 | 73286 | 2 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL2017835 | 73286 | 2 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| 44349254 | 16639 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 354 | 10 | 3 | 3 | 2.6 | CCCCCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL124751 | 16639 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 354 | 10 | 3 | 3 | 2.6 | CCCCCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| 155531277 | 171055 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1821 | 72 | 18 | 23 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4465747 | 171055 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1821 | 72 | 18 | 23 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 10056421 | 106132 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 857 | 21 | 9 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm960509y | ||
| CHEMBL3143025 | 106132 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 857 | 21 | 9 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm960509y | ||
| 44333278 | 4672 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 464 | 5 | 2 | 6 | 2.6 | CCCN1C(=O)C(NC(=O)Nc2cccc(OC)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL103791 | 4672 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 464 | 5 | 2 | 6 | 2.6 | CCCN1C(=O)C(NC(=O)Nc2cccc(OC)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| 443375 | 205862 | 40 | None | 2 | 5 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00105a062 | ||
| CHEMBL9506 | 205862 | 40 | None | 2 | 5 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00105a062 | ||
| 443375 | 205862 | 40 | None | 2 | 5 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80687-3 | ||
| CHEMBL9506 | 205862 | 40 | None | 2 | 5 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80687-3 | ||
| 14843046 | 99370 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 5 | 1 | 4 | 5.4 | COc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| CHEMBL285707 | 99370 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 5 | 1 | 4 | 5.4 | COc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| 443375 | 205862 | 40 | None | 2 | 5 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00057a005 | ||
| CHEMBL9506 | 205862 | 40 | None | 2 | 5 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00057a005 | ||
| 44329487 | 108014 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 6 | 3 | 3 | 5.7 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)C[C@H](c3cccc(F)c3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL319986 | 108014 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 6 | 3 | 3 | 5.7 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)C[C@H](c3cccc(F)c3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 132190 | 119818 | 16 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | O=C1NN(C(=O)Nc2ccc(Br)cc2)C(c2ccccc2)C1c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL352949 | 119818 | 16 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | O=C1NN(C(=O)Nc2ccc(Br)cc2)C(c2ccccc2)C1c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| 11801335 | 119017 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 579 | 7 | 2 | 4 | 5.5 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(F)cc1 | 10.1021/jm950626d | ||
| CHEMBL345786 | 119017 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 579 | 7 | 2 | 4 | 5.5 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(F)cc1 | 10.1021/jm950626d | ||
| CHEMBL1172251 | 206831 | 0 | None | -2 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 10649606 | 49334 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 519 | 6 | 3 | 4 | 4.5 | O=C(CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2015.03.051 | ||
| CHEMBL156605 | 49334 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 519 | 6 | 3 | 4 | 4.5 | O=C(CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2015.03.051 | ||
| 132916 | 3100 | 11 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 438 | 3 | 2 | 3 | 3.8 | O=C(c1cc2c([nH]1)cccc2)N[C@H]1N=C(c2ccccc2F)c2c3N(C1=O)CCc3ccc2 | 10.1016/S0960-894X(96)00609-9 | ||
| 874 | 3100 | 11 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 438 | 3 | 2 | 3 | 3.8 | O=C(c1cc2c([nH]1)cccc2)N[C@H]1N=C(c2ccccc2F)c2c3N(C1=O)CCc3ccc2 | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL300072 | 3100 | 11 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 438 | 3 | 2 | 3 | 3.8 | O=C(c1cc2c([nH]1)cccc2)N[C@H]1N=C(c2ccccc2F)c2c3N(C1=O)CCc3ccc2 | 10.1016/S0960-894X(96)00609-9 | ||
| 9977368 | 115735 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 385 | 3 | 2 | 4 | 3.0 | CN1C(=O)C(NC(=O)Nc2cccnc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL335865 | 115735 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 385 | 3 | 2 | 4 | 3.0 | CN1C(=O)C(NC(=O)Nc2cccnc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44370451 | 50503 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 435 | 15 | 3 | 4 | 4.3 | CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)Nc1cccc(OC)c1 | 10.1021/jm00164a020 | ||
| CHEMBL157658 | 50503 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 435 | 15 | 3 | 4 | 4.3 | CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)Nc1cccc(OC)c1 | 10.1021/jm00164a020 | ||
| 9896825 | 102491 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 742 | 14 | 6 | 10 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30656 | 102491 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 742 | 14 | 6 | 10 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 19766170 | 58830 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 3 | 4 | 2.2 | COc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)O)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL169931 | 58830 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 3 | 4 | 2.2 | COc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)O)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 15689732 | 106120 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 870 | 21 | 9 | 10 | 3.0 | COC(=O)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142906 | 106120 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 870 | 21 | 9 | 10 | 3.0 | COC(=O)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 15689732 | 106120 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 870 | 21 | 9 | 10 | 3.0 | COC(=O)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm960509y | ||
| CHEMBL3142906 | 106120 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 870 | 21 | 9 | 10 | 3.0 | COC(=O)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm960509y | ||
| 15104602 | 9346 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 486 | 13 | 3 | 2 | 6.2 | CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00116a002 | ||
| CHEMBL111808 | 9346 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 486 | 13 | 3 | 2 | 6.2 | CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00116a002 | ||
| 44349024 | 16935 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 402 | 8 | 3 | 3 | 3.5 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL125551 | 16935 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 402 | 8 | 3 | 3 | 3.5 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00079a003 | ||
| 14208266 | 103888 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 371 | 3 | 3 | 4 | 2.9 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(O)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL310250 | 103888 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 371 | 3 | 3 | 4 | 2.9 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(O)cc1 | 10.1021/jm00120a002 | ||
| 44375212 | 164833 | 0 | None | - | 0 | Mouse | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 554 | 10 | 6 | 7 | 4.0 | O=C(O)c1cccc(N/C(S)=N\Nc2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2[N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL423803 | 164833 | 0 | None | - | 0 | Mouse | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 554 | 10 | 6 | 7 | 4.0 | O=C(O)c1cccc(N/C(S)=N\Nc2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2[N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| 44359614 | 31637 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 491 | 8 | 3 | 4 | 5.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)CNC1CCCCC1 | 10.1021/jm970065l | ||
| CHEMBL140701 | 31637 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 491 | 8 | 3 | 4 | 5.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)CNC1CCCCC1 | 10.1021/jm970065l | ||
| 10507561 | 120475 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 585 | 7 | 2 | 4 | 5.4 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm9601664 | ||
| CHEMBL356408 | 120475 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 585 | 7 | 2 | 4 | 5.4 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm9601664 | ||
| 44365359 | 120762 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 546 | 12 | 3 | 5 | 4.5 | COc1ccc(N(C(=O)CN(C(=O)[C@@H](CCC(=O)O)NC(=O)Nc2ccccc2)c2ccccc2)C(C)C)cc1 | 10.1016/S0960-894X(97)00062-0 | ||
| CHEMBL357983 | 120762 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 546 | 12 | 3 | 5 | 4.5 | COc1ccc(N(C(=O)CN(C(=O)[C@@H](CCC(=O)O)NC(=O)Nc2ccccc2)c2ccccc2)C(C)C)cc1 | 10.1016/S0960-894X(97)00062-0 | ||
| 15177358 | 98601 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 515 | 9 | 4 | 4 | 4.6 | O=C(NC(Cc1c[nH]c2ccccc12)NC(=O)C(CO)Cc1ccccc1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL280502 | 98601 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 515 | 9 | 4 | 4 | 4.6 | O=C(NC(Cc1c[nH]c2ccccc12)NC(=O)C(CO)Cc1ccccc1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 10789434 | 204900 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 444 | 6 | 3 | 8 | 3.1 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccnc2)c1 | 10.1021/jm970373j | ||
| CHEMBL8921 | 204900 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 444 | 6 | 3 | 8 | 3.1 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccnc2)c1 | 10.1021/jm970373j | ||
| 10413618 | 201094 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/s0960-894x(00)00198-0 | ||
| CHEMBL62205 | 201094 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/s0960-894x(00)00198-0 | ||
| 15667018 | 157228 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 998 | 27 | 10 | 11 | 2.5 | CCCC[C@H](NC(=O)c1ccc2cc(OS(=O)(=O)O)ccc2c1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL408286 | 157228 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 998 | 27 | 10 | 11 | 2.5 | CCCC[C@H](NC(=O)c1ccc2cc(OS(=O)(=O)O)ccc2c1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 9983419 | 108886 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL321946 | 108886 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00105a062 | ||
| 10030027 | 17749 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 532 | 5 | 3 | 3 | 5.6 | Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](NC(=O)Nc1cccc(Cl)c1)C(=O)N2CC(=O)NC(C)(C)C | 10.1021/jm00048a015 | ||
| CHEMBL126002 | 17749 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 532 | 5 | 3 | 3 | 5.6 | Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](NC(=O)Nc1cccc(Cl)c1)C(=O)N2CC(=O)NC(C)(C)C | 10.1021/jm00048a015 | ||
| 73346731 | 81120 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL216079 | 81120 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 10413618 | 201094 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL62205 | 201094 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 10452597 | 26705 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 384 | 3 | 2 | 3 | 3.6 | CN1C(=O)C(NC(=O)Nc2ccccc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL136408 | 26705 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 384 | 3 | 2 | 3 | 3.6 | CN1C(=O)C(NC(=O)Nc2ccccc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44280371 | 102541 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 815 | 19 | 4 | 8 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30701 | 102541 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 815 | 19 | 4 | 8 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 10413618 | 201094 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1021/jm970065l | ||
| CHEMBL62205 | 201094 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1021/jm970065l | ||
| 44356697 | 25403 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 456 | 5 | 2 | 5 | 3.4 | COC(=O)Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL135166 | 25403 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 456 | 5 | 2 | 5 | 3.4 | COC(=O)Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44280399 | 102608 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 603 | 10 | 4 | 5 | 4.6 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1ccc(O)cc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30756 | 102608 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 603 | 10 | 4 | 5 | 4.6 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1ccc(O)cc1)C(=O)O | 10.1021/jm950372w | ||
| 44280371 | 102541 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 815 | 19 | 4 | 8 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30701 | 102541 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 815 | 19 | 4 | 8 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 15689739 | 106097 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 862 | 20 | 9 | 8 | 4.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142683 | 106097 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 862 | 20 | 9 | 8 | 4.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 15167816 | 202781 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 4.0 | CCOC(=O)CN1C(=O)C(NC(=O)c2ccccc2Cl)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL72546 | 202781 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 4.0 | CCOC(=O)CN1C(=O)C(NC(=O)c2ccccc2Cl)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00078a018 | ||
| 9821357 | 17082 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 382 | 9 | 3 | 3 | 3.2 | CC(C)(C)CCCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL125703 | 17082 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 382 | 9 | 3 | 3 | 3.2 | CC(C)(C)CCCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| 10001488 | 164363 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 408 | 4 | 3 | 3 | 3.6 | O=C(Cc1c[nH]c2ccccc12)NC1N=C(c2ccccc2)c2ccccc2NC1=O | 10.1021/jm00120a002 | ||
| CHEMBL422411 | 164363 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 408 | 4 | 3 | 3 | 3.6 | O=C(Cc1c[nH]c2ccccc12)NC1N=C(c2ccccc2)c2ccccc2NC1=O | 10.1021/jm00120a002 | ||
| 15200522 | 119949 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 422 | 4 | 2 | 3 | 3.7 | CN1C(=O)C(NC(=O)Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL354126 | 119949 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 422 | 4 | 2 | 3 | 3.7 | CN1C(=O)C(NC(=O)Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| 10719200 | 168924 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 471 | 6 | 3 | 3 | 5.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)Nc1ccccc1 | 10.1021/jm970065l | ||
| CHEMBL443284 | 168924 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 471 | 6 | 3 | 3 | 5.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)Nc1ccccc1 | 10.1021/jm970065l | ||
| 10528637 | 96842 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 477 | 6 | 3 | 7 | 4.4 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL269123 | 96842 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 477 | 6 | 3 | 7 | 4.4 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)c1 | 10.1021/jm970373j | ||
| 10838356 | 205900 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 477 | 6 | 3 | 7 | 4.4 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 | 10.1021/jm970373j | ||
| CHEMBL9524 | 205900 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 477 | 6 | 3 | 7 | 4.4 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 | 10.1021/jm970373j | ||
| 14843052 | 99252 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 486 | 5 | 1 | 4 | 5.5 | CN(C)c1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| CHEMBL284853 | 99252 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 486 | 5 | 1 | 4 | 5.5 | CN(C)c1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| 9978270 | 78387 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 399 | 3 | 3 | 4 | 3.2 | CN1C(=O)[C@H](NC(=O)Nc2cccc(N)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL2112749 | 78387 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 399 | 3 | 3 | 4 | 3.2 | CN1C(=O)[C@H](NC(=O)Nc2cccc(N)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10323690 | 100019 | 0 | None | - | 2 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL2114401 | 100019 | 0 | None | - | 2 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL291033 | 100019 | 0 | None | - | 2 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00105a062 | ||
| 44382698 | 59145 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 742 | 15 | 5 | 7 | 5.3 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccc(OS(=O)(=O)O)cc1)NCCc1ccccc1 | 10.1016/S0960-894X(00)80687-3 | ||
| CHEMBL171375 | 59145 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 742 | 15 | 5 | 7 | 5.3 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccc(OS(=O)(=O)O)cc1)NCCc1ccccc1 | 10.1016/S0960-894X(00)80687-3 | ||
| 14843041 | 124509 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 6.0 | CCc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL36436 | 124509 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 6.0 | CCc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 44280029 | 95981 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 740 | 15 | 6 | 9 | 3.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL262125 | 95981 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 740 | 15 | 6 | 9 | 3.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL3142687 | 209374 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| 44381758 | 11610 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 3.4 | CN1CCN(CCNC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL1181391 | 11610 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 3.4 | CN1CCN(CCNC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL169440 | 11610 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 3.4 | CN1CCN(CCNC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| 15104611 | 108757 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 514 | 13 | 3 | 4 | 6.0 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(O)c2ccccc2n1 | 10.1021/jm00116a002 | ||
| CHEMBL321811 | 108757 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 514 | 13 | 3 | 4 | 6.0 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(O)c2ccccc2n1 | 10.1021/jm00116a002 | ||
| 14208313 | 67383 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 3 | 1 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL1907842 | 67383 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 3 | 1 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44349391 | 116536 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 4.2 | CCC1(CC)CCC(NC(=O)C(CCC(=O)O)NC(=O)c2cccc(Cl)c2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL339115 | 116536 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 422 | 9 | 3 | 3 | 4.2 | CCC1(CC)CCC(NC(=O)C(CCC(=O)O)NC(=O)c2cccc(Cl)c2)CC1 | 10.1021/jm00079a003 | ||
| 44280112 | 99121 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 684 | 11 | 3 | 5 | 5.4 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCCc2ccccc21 | 10.1021/jm950372w | ||
| CHEMBL283924 | 99121 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 684 | 11 | 3 | 5 | 5.4 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCCc2ccccc21 | 10.1021/jm950372w | ||
| 10091467 | 116192 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 385 | 3 | 2 | 4 | 3.0 | CN1C(=O)C(NC(=O)Nc2ccccn2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL337285 | 116192 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 385 | 3 | 2 | 4 | 3.0 | CN1C(=O)C(NC(=O)Nc2ccccn2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 14802539 | 76184 | 1 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL2062144 | 76184 | 1 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| 14843038 | 137667 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 5 | 1 | 4 | 5.4 | COc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37699 | 137667 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 5 | 1 | 4 | 5.4 | COc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 10369442 | 108047 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 521 | 7 | 3 | 5 | 3.6 | Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL320154 | 108047 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 521 | 7 | 3 | 5 | 3.6 | Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 44332067 | 4311 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 546 | 13 | 3 | 4 | 3.5 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@H]1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL101352 | 4311 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 546 | 13 | 3 | 4 | 3.5 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@H]1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL100609 | 206700 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | COc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| CHEMBL100609 | 206700 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | COc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm960509y | ||||
| 44280114 | 5026 | 0 | None | - | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 567 | 7 | 2 | 4 | 6.1 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CCC(C(=O)c2ccccc2)CC1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL105618 | 5026 | 0 | None | - | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 567 | 7 | 2 | 4 | 6.1 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CCC(C(=O)c2ccccc2)CC1 | 10.1016/0960-894X(95)00537-3 | ||
| 15167800 | 32485 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 412 | 4 | 3 | 3 | 4.4 | O=C(NCC1CNc2ccccc2C(c2ccccc2F)=N1)c1cc2ccccc2[nH]1 | 10.1021/jm00163a069 | ||
| CHEMBL141365 | 32485 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 412 | 4 | 3 | 3 | 4.4 | O=C(NCC1CNc2ccccc2C(c2ccccc2F)=N1)c1cc2ccccc2[nH]1 | 10.1021/jm00163a069 | ||
| 44209151 | 59107 | 1 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 301 | 3 | 2 | 2 | 3.8 | O=C(Cc1ccccc1)Nc1cc2c3ccccc3nc-2c[nH]1 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL171108 | 59107 | 1 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 301 | 3 | 2 | 2 | 3.8 | O=C(Cc1ccccc1)Nc1cc2c3ccccc3nc-2c[nH]1 | 10.1016/S0960-894X(00)80682-4 | ||
| 44303237 | 100327 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 590 | 10 | 4 | 8 | 4.3 | CC(Cc1ccc(-c2csnn2)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL293178 | 100327 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 590 | 10 | 4 | 8 | 4.3 | CC(Cc1ccc(-c2csnn2)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 44280177 | 99016 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 601 | 11 | 3 | 4 | 5.3 | O=C(O)C[C@H](Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL283204 | 99016 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 601 | 11 | 3 | 4 | 5.3 | O=C(O)C[C@H](Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 10604135 | 78414 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 637 | 8 | 3 | 5 | 5.1 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]12)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm991078x | ||
| CHEMBL2112823 | 78414 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 637 | 8 | 3 | 5 | 5.1 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]12)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm991078x | ||
| 44396765 | 67023 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 594 | 8 | 2 | 5 | 5.4 | O=C(OC1C2CC3CC(C2)CC1C3)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)CC12 | 10.1021/jm0498755 | ||
| CHEMBL188667 | 67023 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 594 | 8 | 2 | 5 | 5.4 | O=C(OC1C2CC3CC(C2)CC1C3)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)CC12 | 10.1021/jm0498755 | ||
| 44327735 | 106782 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 627 | 15 | 3 | 4 | 7.1 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCCCCCC(=O)O)CCc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL317062 | 106782 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 627 | 15 | 3 | 4 | 7.1 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCCCCCC(=O)O)CCc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| 10413579 | 116569 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 498 | 5 | 3 | 3 | 5.0 | Cc1ccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)cc1 | 10.1021/jm00048a015 | ||
| CHEMBL339260 | 116569 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 498 | 5 | 3 | 3 | 5.0 | Cc1ccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)cc1 | 10.1021/jm00048a015 | ||
| 10047172 | 78390 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 410 | 4 | 2 | 3 | 4.3 | C=Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL2112752 | 78390 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 410 | 4 | 2 | 3 | 4.3 | C=Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44280252 | 99378 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 655 | 11 | 5 | 8 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL285746 | 99378 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 655 | 11 | 5 | 8 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44331993 | 157652 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 609 | 5 | 1 | 5 | 5.5 | CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL408803 | 157652 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 609 | 5 | 1 | 5 | 5.5 | CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| 10369806 | 116307 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 532 | 5 | 3 | 3 | 5.6 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@@H](NC(=O)Nc1cccc(Cl)c1)C[C@H]2c1ccccc1 | 10.1021/jm00048a015 | ||
| CHEMBL337937 | 116307 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 532 | 5 | 3 | 3 | 5.6 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@@H](NC(=O)Nc1cccc(Cl)c1)C[C@H]2c1ccccc1 | 10.1021/jm00048a015 | ||
| 44272229 | 98278 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 635 | 15 | 6 | 6 | 3.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80644-7 | ||
| CHEMBL278032 | 98278 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 635 | 15 | 6 | 6 | 3.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80644-7 | ||
| 44272229 | 98278 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 635 | 15 | 6 | 6 | 3.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(01)80253-5 | ||
| CHEMBL278032 | 98278 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 635 | 15 | 6 | 6 | 3.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(01)80253-5 | ||
| 44280213 | 101134 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 685 | 12 | 5 | 9 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL29888 | 101134 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 685 | 12 | 5 | 9 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL318570 | 209459 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||||
| 44209154 | 58770 | 1 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 315 | 4 | 2 | 2 | 4.2 | O=C(CCc1ccccc1)Nc1cc2c3ccccc3nc-2c[nH]1 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL169675 | 58770 | 1 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 315 | 4 | 2 | 2 | 4.2 | O=C(CCc1ccccc1)Nc1cc2c3ccccc3nc-2c[nH]1 | 10.1016/S0960-894X(00)80682-4 | ||
| 44283030 | 99181 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 629 | 12 | 3 | 7 | 5.4 | COC(=O)CCC(=O)N[C@H](COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL284361 | 99181 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 629 | 12 | 3 | 7 | 5.4 | COC(=O)CCC(=O)N[C@H](COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccccc1 | 10.1021/jm00086a017 | ||
| 44280091 | 167863 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 640 | 10 | 3 | 4 | 5.7 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL434967 | 167863 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 640 | 10 | 3 | 4 | 5.7 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| 44385777 | 128276 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 573 | 8 | 4 | 5 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)[C@](Cc3ccccc3)(C(N)=O)C[C@H]12 | 10.1016/0960-894X(96)00160-6 | ||
| CHEMBL366943 | 128276 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 573 | 8 | 4 | 5 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)[C@](Cc3ccccc3)(C(N)=O)C[C@H]12 | 10.1016/0960-894X(96)00160-6 | ||
| 44283177 | 99827 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 655 | 16 | 2 | 5 | 7.6 | CCOC(=O)CCCCCC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL289239 | 99827 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 655 | 16 | 2 | 5 | 7.6 | CCOC(=O)CCCCCC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 44349262 | 116439 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 354 | 9 | 3 | 3 | 2.5 | CC(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL338607 | 116439 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 354 | 9 | 3 | 3 | 2.5 | CC(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| 44279957 | 98741 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 553 | 10 | 3 | 4 | 4.7 | CC(C)CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL281507 | 98741 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 553 | 10 | 3 | 4 | 4.7 | CC(C)CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 10598999 | 205919 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 435 | 4 | 3 | 5 | 5.0 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc3ccccc23)c1 | 10.1021/jm970373j | ||
| CHEMBL9532 | 205919 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 435 | 4 | 3 | 5 | 5.0 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc3ccccc23)c1 | 10.1021/jm970373j | ||
| 44368567 | 168159 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 495 | 9 | 4 | 4 | 4.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1F)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL437039 | 168159 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 495 | 9 | 4 | 4 | 4.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1F)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 10765241 | 103490 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 433 | 5 | 3 | 4 | 3.8 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@H]2CCCCN2)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL309299 | 103490 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 433 | 5 | 3 | 4 | 3.8 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@H]2CCCCN2)c2ccccc21 | 10.1021/jm9608523 | ||
| 44329352 | 110936 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 544 | 6 | 3 | 3 | 5.7 | Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(F)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL327496 | 110936 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 544 | 6 | 3 | 3 | 5.7 | Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(F)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44280741 | 156009 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 759 | 15 | 4 | 8 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL406844 | 156009 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 759 | 15 | 4 | 8 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL316925 | 209440 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC[C@@H]1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||||
| 44327457 | 106841 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 571 | 11 | 3 | 4 | 5.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCC(=O)O)CCc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL317577 | 106841 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 571 | 11 | 3 | 4 | 5.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCC(=O)O)CCc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| 14843038 | 137667 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 473 | 5 | 1 | 4 | 5.4 | COc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37699 | 137667 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 473 | 5 | 1 | 4 | 5.4 | COc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 10462874 | 98367 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 766 | 16 | 6 | 5 | 7.1 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCCCNC(=O)Nc1ccccc1Cl | 10.1016/s0960-894x(00)00198-0 | ||
| CHEMBL278780 | 98367 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 766 | 16 | 6 | 5 | 7.1 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCCCNC(=O)Nc1ccccc1Cl | 10.1016/s0960-894x(00)00198-0 | ||
| 44381829 | 167952 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 840 | 23 | 10 | 10 | 2.9 | CC(C)(C)OC(=O)N[C@H](CNN[C@@H](CCCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1c[nH]c2ccccc12 | 10.1016/S0960-894X(00)80680-0 | ||
| CHEMBL435465 | 167952 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 840 | 23 | 10 | 10 | 2.9 | CC(C)(C)OC(=O)N[C@H](CNN[C@@H](CCCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1c[nH]c2ccccc12 | 10.1016/S0960-894X(00)80680-0 | ||
| 44375062 | 55378 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 554 | 10 | 6 | 7 | 4.0 | O=C(O)c1cccc(NS(=O)(=O)c2ccc(N/N=C(/S)NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL162184 | 55378 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 554 | 10 | 6 | 7 | 4.0 | O=C(O)c1cccc(NS(=O)(=O)c2ccc(N/N=C(/S)NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)c1 | 10.1016/s0960-894x(01)00044-0 | ||
| 44348835 | 16627 | 0 | None | - | 0 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 938 | 25 | 11 | 11 | 0.2 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| CHEMBL124719 | 16627 | 0 | None | - | 0 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 938 | 25 | 11 | 11 | 0.2 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| 14991581 | 101951 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 855 | 22 | 8 | 9 | 3.2 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)CCc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL303994 | 101951 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 855 | 22 | 8 | 9 | 3.2 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)CCc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44349314 | 16375 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 402 | 8 | 3 | 3 | 3.5 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cc(Cl)cc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL123852 | 16375 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 402 | 8 | 3 | 3 | 3.5 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1cc(Cl)cc(Cl)c1 | 10.1021/jm00079a003 | ||
| 44280266 | 98309 | 0 | None | - | 1 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 729 | 14 | 4 | 7 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL278217 | 98309 | 0 | None | - | 1 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 729 | 14 | 4 | 7 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 14208260 | 101636 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 423 | 3 | 2 | 3 | 4.3 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(C(F)(F)F)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL302359 | 101636 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 423 | 3 | 2 | 3 | 4.3 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(C(F)(F)F)cc1 | 10.1021/jm00120a002 | ||
| 44283086 | 118816 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 482 | 8 | 2 | 2 | 7.2 | CC(/C=C/CCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL34422 | 118816 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 482 | 8 | 2 | 2 | 7.2 | CC(/C=C/CCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 44349152 | 18360 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 354 | 10 | 3 | 3 | 2.6 | CCCCCNC(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)cc1 | 10.1021/jm00079a003 | ||
| CHEMBL127604 | 18360 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 354 | 10 | 3 | 3 | 2.6 | CCCCCNC(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)cc1 | 10.1021/jm00079a003 | ||
| 10675328 | 111004 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 617 | 9 | 1 | 6 | 5.7 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ccccc34)(OC)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL327815 | 111004 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 617 | 9 | 1 | 6 | 5.7 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ccccc34)(OC)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| 44283031 | 99514 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 613 | 13 | 2 | 5 | 6.4 | CCOC(=O)CCC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL286664 | 99514 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 613 | 13 | 2 | 5 | 6.4 | CCOC(=O)CCC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL414345 | 211366 | 6 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0498755 | ||||
| 19766167 | 58908 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 4 | 2 | 3 | 3.1 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL170293 | 58908 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 4 | 2 | 3 | 3.1 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 14843051 | 99408 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 489 | 5 | 1 | 4 | 6.1 | CSc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| CHEMBL285940 | 99408 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 489 | 5 | 1 | 4 | 6.1 | CSc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| 14843050 | 162581 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 5 | 1 | 3 | 6.5 | CC(C)c1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| CHEMBL417876 | 162581 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 5 | 1 | 3 | 6.5 | CC(C)c1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| CHEMBL285995 | 99417 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 741 | 16 | 6 | 11 | 4.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCNCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 11802426 | 99806 | 0 | None | 50 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 653 | 8 | 3 | 5 | 6.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL289021 | 99806 | 0 | None | 50 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 653 | 8 | 3 | 5 | 6.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 90663141 | 106109 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 618 | 14 | 6 | 6 | 0.6 | CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N1CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL3142755 | 106109 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 618 | 14 | 6 | 6 | 0.6 | CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N1CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O | 10.1016/S0960-894X(96)00546-X | ||
| 6956374 | 2363 | 4 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1 | 10.1021/jm000937a | ||
| 902 | 2363 | 4 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1 | 10.1021/jm000937a | ||
| CHEMBL117281 | 2363 | 4 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1 | 10.1021/jm000937a | ||
| 14843029 | 138691 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 443 | 4 | 1 | 3 | 5.4 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(Br)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37887 | 138691 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 443 | 4 | 1 | 3 | 5.4 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(Br)c1 | 10.1021/jm00108a040 | ||
| 44279808 | 98671 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 712 | 13 | 6 | 9 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL281082 | 98671 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 712 | 13 | 6 | 9 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44332281 | 4655 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 455 | 12 | 3 | 3 | 4.3 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL103713 | 4655 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 455 | 12 | 3 | 3 | 4.3 | CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)O | 10.1016/S0960-894X(96)00546-X | ||
| 6956374 | 2363 | 4 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| 902 | 2363 | 4 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL117281 | 2363 | 4 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 3 | 2 | 2 | 4.9 | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| 15689737 | 106104 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 862 | 20 | 9 | 8 | 4.5 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC/N=C(\S)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142701 | 106104 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 862 | 20 | 9 | 8 | 4.5 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC/N=C(\S)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 14208194 | 162872 | 2 | None | - | 2 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm000937a | ||
| CHEMBL419764 | 162872 | 2 | None | - | 2 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm000937a | ||
| 14208317 | 67333 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2ccccc2Cl)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907667 | 67333 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2ccccc2Cl)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14208194 | 162872 | 2 | None | - | 2 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL419764 | 162872 | 2 | None | - | 2 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL354363 | 209974 | 0 | None | - | 0 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 | 10.1016/S0960-894X(01)80253-5 | ||||
| 155524770 | 170361 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1641 | 66 | 14 | 19 | 4.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4455361 | 170361 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1641 | 66 | 14 | 19 | 4.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 44342477 | 110021 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 588 | 8 | 3 | 6 | 3.9 | COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@@H](NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CCCN2C1=O | 10.1016/0960-894X(96)00160-6 | ||
| CHEMBL325070 | 110021 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 588 | 8 | 3 | 6 | 3.9 | COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@@H](NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CCCN2C1=O | 10.1016/0960-894X(96)00160-6 | ||
| CHEMBL160753 | 207056 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00031a013 | ||||
| 10745561 | 17638 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 566 | 8 | 4 | 5 | 3.5 | O=C(N[C@@H]1C[C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)N[C@H](Cc3ccccc3)C(=O)O)N2C1=O)OCc1ccccc1 | 10.1021/jm000959x | ||
| CHEMBL125897 | 17638 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 566 | 8 | 4 | 5 | 3.5 | O=C(N[C@@H]1C[C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)N[C@H](Cc3ccccc3)C(=O)O)N2C1=O)OCc1ccccc1 | 10.1021/jm000959x | ||
| 20190197 | 31289 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.6 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)c1ccc(Cl)cc1 | 10.1021/jm00163a069 | ||
| CHEMBL140365 | 31289 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.6 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)c1ccc(Cl)cc1 | 10.1021/jm00163a069 | ||
| 11799462 | 161455 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 497 | 6 | 3 | 6 | 5.3 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL415965 | 161455 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 497 | 6 | 3 | 6 | 5.3 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 14843038 | 137667 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 473 | 5 | 1 | 4 | 5.4 | COc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37699 | 137667 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 473 | 5 | 1 | 4 | 5.4 | COc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 44329306 | 109147 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 8 | 3 | 3 | 7.0 | CCc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC3(C)CCCCC3)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL322381 | 109147 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 8 | 3 | 3 | 7.0 | CCc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC3(C)CCCCC3)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 13953716 | 101113 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 442 | 3 | 2 | 5 | 4.9 | Cc1nnc2n1-c1ccccc1C(c1ccccc1)=NC2NC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm00396a028 | ||
| CHEMBL298705 | 101113 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 442 | 3 | 2 | 5 | 4.9 | Cc1nnc2n1-c1ccccc1C(c1ccccc1)=NC2NC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm00396a028 | ||
| 13953715 | 193000 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 428 | 3 | 2 | 5 | 4.6 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2-n2cnnc21 | 10.1021/jm00396a028 | ||
| CHEMBL53234 | 193000 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 428 | 3 | 2 | 5 | 4.6 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2-n2cnnc21 | 10.1021/jm00396a028 | ||
| 10048986 | 27332 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 442 | 5 | 3 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)O)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL136919 | 27332 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 442 | 5 | 3 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)O)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44280495 | 98656 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 641 | 10 | 5 | 8 | 3.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL280980 | 98656 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 641 | 10 | 5 | 8 | 3.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL100609 | 206700 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | COc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00173a006 | ||||
| 44381578 | 119989 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 840 | 23 | 10 | 10 | 2.9 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(O)cc1)CNN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80680-0 | ||
| CHEMBL354512 | 119989 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 840 | 23 | 10 | 10 | 2.9 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(O)cc1)CNN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80680-0 | ||
| 44381915 | 58732 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 454 | 15 | 2 | 3 | 5.4 | CCCCCN(CCCCC)C(=O)[C@@H](CCCC(=O)O)NC(=O)c1ccc2ccccc2c1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL169466 | 58732 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 454 | 15 | 2 | 3 | 5.4 | CCCCCN(CCCCC)C(=O)[C@@H](CCCC(=O)O)NC(=O)c1ccc2ccccc2c1 | 10.1016/S0960-894X(00)80681-2 | ||
| 14208208 | 168901 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 4 | 2 | 3 | 3.8 | O=C(/C=C/c1ccccc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O | 10.1021/jm00120a002 | ||
| CHEMBL443009 | 168901 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 4 | 2 | 3 | 3.8 | O=C(/C=C/c1ccccc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O | 10.1021/jm00120a002 | ||
| 44349185 | 16339 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 421 | 7 | 3 | 4 | 3.0 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCCC2)C1 | 10.1021/jm00079a003 | ||
| CHEMBL123720 | 16339 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 421 | 7 | 3 | 4 | 3.0 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCCC2)C1 | 10.1021/jm00079a003 | ||
| CHEMBL169178 | 207084 | 0 | None | - | 0 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 | 10.1016/S0960-894X(01)80253-5 | ||||
| 14208315 | 67380 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 495 | 3 | 1 | 3 | 3.9 | CN1C(=O)[C@@H](NC(=O)c2ccccc2I)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907839 | 67380 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 495 | 3 | 1 | 3 | 3.9 | CN1C(=O)[C@@H](NC(=O)c2ccccc2I)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 10361419 | 26234 | 11 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 364 | 2 | 2 | 3 | 2.9 | CN1C(=O)C(NC(=O)NC(C)(C)C)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL135988 | 26234 | 11 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 364 | 2 | 2 | 3 | 2.9 | CN1C(=O)C(NC(=O)NC(C)(C)C)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 145982146 | 166014 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 415 | 3 | 2 | 6 | 3.8 | O=C1Nc2ccccc2/C1=N/Nc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 | 10.1039/C7MD00171A | ||
| CHEMBL4279998 | 166014 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 415 | 3 | 2 | 6 | 3.8 | O=C1Nc2ccccc2/C1=N/Nc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 | 10.1039/C7MD00171A | ||
| CHEMBL333299 | 209635 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00105a068 | ||||
| 44280729 | 167655 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 644 | 12 | 4 | 5 | 4.3 | O=C(CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O)NCc1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL433621 | 167655 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 644 | 12 | 4 | 5 | 4.3 | O=C(CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O)NCc1ccccc1 | 10.1021/jm950372w | ||
| 19766221 | 118371 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 569 | 7 | 3 | 5 | 5.2 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00163a069 | ||
| CHEMBL342256 | 118371 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 569 | 7 | 3 | 5 | 5.2 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00163a069 | ||
| 10793952 | 102295 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 621 | 8 | 3 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL30524 | 102295 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 621 | 8 | 3 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 44280163 | 103881 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 658 | 12 | 3 | 5 | 4.7 | CN(Cc1ccccc1)C(=O)[C@H](CC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL31018 | 103881 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 658 | 12 | 3 | 5 | 4.7 | CN(Cc1ccccc1)C(=O)[C@H](CC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 5311201 | 205653 | 30 | None | -234 | 6 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL9387 | 205653 | 30 | None | -234 | 6 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/s0960-894x(98)00231-5 | ||
| 10553146 | 116200 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 491 | 6 | 3 | 3 | 5.7 | CC1CCCCC1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm970065l | ||
| CHEMBL337310 | 116200 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 491 | 6 | 3 | 3 | 5.7 | CC1CCCCC1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm970065l | ||
| CHEMBL433398 | 211881 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O | 10.1016/S0960-894X(96)00546-X | ||||
| 10722372 | 119063 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 605 | 8 | 3 | 5 | 5.0 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(C(=O)O)cc1 | 10.1021/jm950626d | ||
| CHEMBL346179 | 119063 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 605 | 8 | 3 | 5 | 5.0 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(C(=O)O)cc1 | 10.1021/jm950626d | ||
| 11497371 | 70271 | 0 | None | - | 3 | Dog | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 525 | 7 | 3 | 3 | 7.4 | Cc1cc(C)c(-c2nc(C(=O)Nc3ccc(C)c(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| CHEMBL195007 | 70271 | 0 | None | - | 3 | Dog | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 525 | 7 | 3 | 3 | 7.4 | Cc1cc(C)c(-c2nc(C(=O)Nc3ccc(C)c(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| 14208228 | 102620 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 470 | 5 | 3 | 4 | 3.3 | O=C(O)CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL307661 | 102620 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 470 | 5 | 3 | 4 | 3.3 | O=C(O)CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14208303 | 202975 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 513 | 3 | 1 | 3 | 4.0 | CN1C(=O)C(NC(=O)c2cccc(I)c2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL73946 | 202975 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 513 | 3 | 1 | 3 | 4.0 | CN1C(=O)C(NC(=O)c2cccc(I)c2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44280507 | 112984 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 573 | 9 | 3 | 4 | 5.0 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(C(=O)O)c1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL33200 | 112984 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 573 | 9 | 3 | 4 | 5.0 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(C(=O)O)c1ccccc1 | 10.1021/jm950372w | ||
| 44334278 | 4617 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 9 | 2 | 4 | 5.5 | Cc1cccc(NC(=O)N[C@H](CSCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL103457 | 4617 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 9 | 2 | 4 | 5.5 | Cc1cccc(NC(=O)N[C@H](CSCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL407530 | 210910 | 0 | None | - | 0 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00100a033 | ||||
| 14208202 | 202926 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 443 | 4 | 2 | 4 | 4.5 | O=C(Cc1cccc2sccc12)NC1N=C(c2ccccc2F)c2ccccc2NC1=O | 10.1021/jm00120a002 | ||
| CHEMBL73563 | 202926 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 443 | 4 | 2 | 4 | 4.5 | O=C(Cc1cccc2sccc12)NC1N=C(c2ccccc2F)c2ccccc2NC1=O | 10.1021/jm00120a002 | ||
| 44334434 | 5007 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 483 | 8 | 2 | 3 | 5.2 | Cc1cccc(NC(=O)N[C@H](CCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL105527 | 5007 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 483 | 8 | 2 | 3 | 5.2 | Cc1cccc(NC(=O)N[C@H](CCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL171310 | 207094 | 0 | None | - | 0 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CC(=O)N[C@H](Cc2ccccc2)C1 | 10.1016/S0960-894X(01)80253-5 | ||||
| 14720389 | 164520 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 373 | 10 | 3 | 3 | 2.8 | CCCN(CCC)C(=O)[C@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00164a020 | ||
| CHEMBL422701 | 164520 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 373 | 10 | 3 | 3 | 2.8 | CCCN(CCC)C(=O)[C@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00164a020 | ||
| 44283029 | 99579 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 627 | 11 | 3 | 7 | 5.2 | COC(=O)/C=C/C(=O)N[C@H](COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL287079 | 99579 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 627 | 11 | 3 | 7 | 5.2 | COC(=O)/C=C/C(=O)N[C@H](COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL2369373 | 207849 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||||
| 44408524 | 155152 | 0 | None | -158 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1134 | 30 | 12 | 15 | 2.6 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL405192 | 155152 | 0 | None | -158 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1134 | 30 | 12 | 15 | 2.6 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| 9985100 | 113991 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 552 | 5 | 3 | 3 | 6.0 | CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2cccc(Cl)c2)c2ccccc21 | 10.1021/jm00048a015 | ||
| CHEMBL333541 | 113991 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 552 | 5 | 3 | 3 | 6.0 | CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2cccc(Cl)c2)c2ccccc21 | 10.1021/jm00048a015 | ||
| 44368522 | 118963 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 574 | 11 | 5 | 5 | 4.4 | C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)/C=C/C(=O)O)c1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL345303 | 118963 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 574 | 11 | 5 | 5 | 4.4 | C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)/C=C/C(=O)O)c1ccccc1 | 10.1021/jm00057a005 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL432671 | 167521 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 784 | 15 | 7 | 12 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCNC(=O)CC(=O)NCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm058225d | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm058225d | ||
| 101823779 | 1364 | 29 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| 16162108 | 1364 | 29 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| 8408 | 1364 | 29 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| CHEMBL4451154 | 1364 | 29 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b01558 | ||||
| 10075014 | 162419 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 508 | 6 | 2 | 5 | 4.4 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL417521 | 162419 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 508 | 6 | 2 | 5 | 4.4 | CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| 44300862 | 157318 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 695 | 9 | 4 | 6 | 5.2 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)NS(=O)(=O)Cc3ccccc3)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL408392 | 157318 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 695 | 9 | 4 | 6 | 5.2 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)NS(=O)(=O)Cc3ccccc3)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| 14802520 | 115780 | 1 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL335914 | 115780 | 1 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| 14802520 | 119841 | 1 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL353157 | 119841 | 1 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 10074366 | 120074 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3349028 | 120074 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3545866 | 120074 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 44368612 | 121469 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 612 | 13 | 5 | 4 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL359361 | 121469 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 612 | 13 | 5 | 4 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 136242438 | 78201 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 671 | 12 | 6 | 7 | 4.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1n[nH]c(=O)[nH]1)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL2112333 | 78201 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 671 | 12 | 6 | 7 | 4.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1n[nH]c(=O)[nH]1)c1ccccc1 | 10.1021/jm00092a007 | ||
| 10481751 | 112579 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 518 | 5 | 3 | 3 | 5.3 | CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccccc21 | 10.1021/jm00048a015 | ||
| CHEMBL331315 | 112579 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 518 | 5 | 3 | 3 | 5.3 | CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccccc21 | 10.1021/jm00048a015 | ||
| CHEMBL438773 | 212039 | 0 | None | - | 0 | Bovine | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00100a033 | ||||
| CHEMBL2370122 | 208032 | 0 | None | - | 0 | Bovine | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||||
| CHEMBL267849 | 208979 | 0 | None | - | 0 | Bovine | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||||
| 10030203 | 25671 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 540 | 6 | 2 | 6 | 2.8 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL135371 | 25671 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 540 | 6 | 2 | 6 | 2.8 | COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 | 10.1021/jm00078a018 | ||
| 15281997 | 48223 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 486 | 5 | 2 | 6 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3nccn3C)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL155627 | 48223 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 486 | 5 | 2 | 6 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3nccn3C)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 14802528 | 117948 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 642 | 14 | 5 | 5 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCCC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL341281 | 117948 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 642 | 14 | 5 | 5 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCCC(=O)O)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| 10720403 | 118912 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 507 | 6 | 4 | 4 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCCC[C@H]1O | 10.1021/jm970065l | ||
| CHEMBL344882 | 118912 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 507 | 6 | 4 | 4 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCCC[C@H]1O | 10.1021/jm970065l | ||
| CHEMBL336381 | 209827 | 0 | None | 97 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 44300864 | 200225 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 681 | 8 | 4 | 6 | 5.1 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)NS(=O)(=O)c3ccccc3)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL60754 | 200225 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 681 | 8 | 4 | 6 | 5.1 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)NS(=O)(=O)c3ccccc3)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| 56663037 | 63588 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1802 | 69 | 14 | 31 | -2.7 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||
| CHEMBL1806529 | 63588 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1802 | 69 | 14 | 31 | -2.7 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm101279a | ||
| 44356710 | 116098 | 6 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 426 | 4 | 2 | 4 | 3.9 | CC(=O)c1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL336765 | 116098 | 6 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 426 | 4 | 2 | 4 | 3.9 | CC(=O)c1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL2369769 | 207930 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C/C=C/CC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/0960-894X(94)85022-4 | ||||
| 44333624 | 4503 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 462 | 5 | 2 | 5 | 3.1 | CCCN1C(=O)C(NC(=O)Nc2cccc(CC)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL102633 | 4503 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 462 | 5 | 2 | 5 | 3.1 | CCCN1C(=O)C(NC(=O)Nc2cccc(CC)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| 19018661 | 28256 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 442 | 5 | 3 | 4 | 3.3 | CN1C(=O)C(NC(=O)Nc2cccc(CC(=O)O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL137567 | 28256 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 442 | 5 | 3 | 4 | 3.3 | CN1C(=O)C(NC(=O)Nc2cccc(CC(=O)O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10430103 | 78090 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 384 | 3 | 3 | 3 | 3.9 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL2111921 | 78090 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 384 | 3 | 3 | 3 | 3.9 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c1 | 10.1021/jm00078a018 | ||
| 44280269 | 98747 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 626 | 10 | 4 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL281559 | 98747 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 626 | 10 | 4 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| 44329520 | 106914 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 574 | 7 | 3 | 3 | 6.9 | Cc1ccc(NC(=O)CN2C(=O)[C@H](NC(=O)Nc3cccc(C)c3)C[C@H](c3ccccc3C)C[C@@H]2c2ccccc2)cc1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL318024 | 106914 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 574 | 7 | 3 | 3 | 6.9 | Cc1ccc(NC(=O)CN2C(=O)[C@H](NC(=O)Nc3cccc(C)c3)C[C@H](c3ccccc3C)C[C@@H]2c2ccccc2)cc1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44327421 | 155154 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 557 | 10 | 3 | 4 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL405208 | 155154 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 557 | 10 | 3 | 4 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1016/S0960-894X(01)80769-1 | ||
| 44349082 | 17578 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 446 | 9 | 3 | 3 | 4.0 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00079a003 | ||
| CHEMBL125874 | 17578 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 446 | 9 | 3 | 3 | 4.0 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00079a003 | ||
| 44349074 | 116522 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 426 | 7 | 4 | 4 | 2.8 | O=C(O)CCC(NC(=O)c1cc2ccccc2[nH]1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL339041 | 116522 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 426 | 7 | 4 | 4 | 2.8 | O=C(O)CCC(NC(=O)c1cc2ccccc2[nH]1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44348887 | 117573 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 7 | 3 | 4 | 4.0 | O=C(O)CCC(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL340630 | 117573 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 7 | 3 | 4 | 4.0 | O=C(O)CCC(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44280215 | 99356 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 756 | 15 | 6 | 10 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL285586 | 99356 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 756 | 15 | 6 | 10 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44281204 | 99375 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 871 | 18 | 4 | 10 | 5.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL285719 | 99375 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 871 | 18 | 4 | 10 | 5.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44381949 | 120199 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 474 | 3 | 3 | 4 | 4.6 | CN1C(=O)[C@H](NC(=O)Nc2cc3c4ccccc4nc-3c[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL354802 | 120199 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 474 | 3 | 3 | 4 | 4.6 | CN1C(=O)[C@H](NC(=O)Nc2cc3c4ccccc4nc-3c[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL290818 | 209124 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 14208192 | 102509 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 394 | 3 | 3 | 3 | 3.7 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 | 10.1021/jm00120a002 | ||
| CHEMBL306760 | 102509 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 394 | 3 | 3 | 3 | 3.7 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 | 10.1021/jm00120a002 | ||
| 44375446 | 55974 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 644 | 12 | 5 | 7 | 5.6 | O=C(O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(N/N=C(/S)NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL162947 | 55974 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 644 | 12 | 5 | 7 | 5.6 | O=C(O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(N/N=C(/S)NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)c1 | 10.1016/s0960-894x(01)00044-0 | ||
| 90663979 | 106313 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 883 | 23 | 8 | 10 | 3.3 | COc1ccc(/C=C\C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1OC | 10.1021/jm00089a010 | ||
| CHEMBL3144548 | 106313 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 883 | 23 | 8 | 10 | 3.3 | COc1ccc(/C=C\C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1OC | 10.1021/jm00089a010 | ||
| 44281005 | 116218 | 0 | None | - | 1 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 787 | 17 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33743 | 116218 | 0 | None | - | 1 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 787 | 17 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 14208264 | 101626 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 411 | 3 | 2 | 3 | 4.5 | CC(C)(C)c1ccc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL302282 | 101626 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 411 | 3 | 2 | 3 | 4.5 | CC(C)(C)c1ccc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 | 10.1021/jm00120a002 | ||
| 14208243 | 202702 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL72073 | 202702 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| 44283132 | 120275 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 485 | 9 | 3 | 3 | 5.9 | CC(CNCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL35555 | 120275 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 485 | 9 | 3 | 3 | 5.9 | CC(CNCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 10717652 | 105664 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 433 | 5 | 3 | 4 | 3.8 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@@H]2CCCCN2)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL313653 | 105664 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 433 | 5 | 3 | 4 | 3.8 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@@H]2CCCCN2)c2ccccc21 | 10.1021/jm9608523 | ||
| 10070678 | 120229 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL355092 | 120229 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| 15637181 | 28213 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 533 | 9 | 3 | 5 | 4.4 | CCN(CC)C[C@H](O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL137535 | 28213 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 533 | 9 | 3 | 5 | 4.4 | CCN(CC)C[C@H](O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44334176 | 4986 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 527 | 9 | 2 | 5 | 4.7 | Cc1cccc(NC(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL105404 | 4986 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 527 | 9 | 2 | 5 | 4.7 | Cc1cccc(NC(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 10070678 | 120229 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL355092 | 120229 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| 15104624 | 9890 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 514 | 13 | 2 | 4 | 5.7 | CCCCCN(CCCCC)C(=O)[C@@H](CC1C(=O)Nc2ccccc21)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| CHEMBL114913 | 9890 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 514 | 13 | 2 | 4 | 5.7 | CCCCCN(CCCCC)C(=O)[C@@H](CC1C(=O)Nc2ccccc21)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| 44370497 | 164630 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 453 | 8 | 3 | 3 | 4.6 | O=C(O)CC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N(C1CCCCC1)C1CCCCC1 | 10.1021/jm00164a020 | ||
| CHEMBL422873 | 164630 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 453 | 8 | 3 | 3 | 4.6 | O=C(O)CC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N(C1CCCCC1)C1CCCCC1 | 10.1021/jm00164a020 | ||
| 10010723 | 4829 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 836 | 20 | 8 | 7 | 3.1 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)F)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL104598 | 4829 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 836 | 20 | 8 | 7 | 3.1 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)F)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| 73345199 | 141201 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL385918 | 141201 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 57393204 | 67332 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 3.3 | COc1cccc(CC(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00120a002 | ||
| CHEMBL1907666 | 67332 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 3.3 | COc1cccc(CC(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00120a002 | ||
| 14208313 | 67383 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 437 | 3 | 1 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907842 | 67383 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 437 | 3 | 1 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 9914964 | 9525 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 530 | 13 | 4 | 5 | 5.7 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(O)c2cccc(O)c2n1 | 10.1021/jm00116a002 | ||
| CHEMBL112682 | 9525 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 530 | 13 | 4 | 5 | 5.7 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(O)c2cccc(O)c2n1 | 10.1021/jm00116a002 | ||
| 44381719 | 58547 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 558 | 12 | 3 | 5 | 3.4 | O=C(CCC(NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2)NCCN1CCOCC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL168855 | 58547 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 558 | 12 | 3 | 5 | 3.4 | O=C(CCC(NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2)NCCN1CCOCC1 | 10.1016/S0960-894X(00)80681-2 | ||
| 10463229 | 119291 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 840 | 20 | 9 | 8 | 3.8 | CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00031a013 | ||
| CHEMBL348346 | 119291 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 840 | 20 | 9 | 8 | 3.8 | CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00031a013 | ||
| 44303722 | 100369 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 807 | 20 | 5 | 11 | 4.8 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(N)=O)n1nnnc1[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OC(C)(C)C | 10.1016/S0960-894X(01)81005-2 | ||
| CHEMBL293456 | 100369 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 807 | 20 | 5 | 11 | 4.8 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(N)=O)n1nnnc1[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OC(C)(C)C | 10.1016/S0960-894X(01)81005-2 | ||
| 10056407 | 119630 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 854 | 20 | 7 | 8 | 4.2 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00031a013 | ||
| CHEMBL351364 | 119630 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 854 | 20 | 7 | 8 | 4.2 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00031a013 | ||
| 44280234 | 101802 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 658 | 13 | 4 | 5 | 4.7 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL30335 | 101802 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 658 | 13 | 4 | 5 | 4.7 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1ccccc1 | 10.1021/jm950372w | ||
| 10762723 | 96569 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 386 | 4 | 3 | 6 | 3.2 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccnc2)c1 | 10.1021/jm970373j | ||
| CHEMBL266819 | 96569 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 386 | 4 | 3 | 6 | 3.2 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccnc2)c1 | 10.1021/jm970373j | ||
| 71452652 | 78080 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL2111884 | 78080 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| 10346551 | 114125 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 518 | 5 | 3 | 3 | 5.3 | CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)C[C@H](c2ccccc2)c2ccccc21 | 10.1021/jm00048a015 | ||
| CHEMBL333813 | 114125 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 518 | 5 | 3 | 3 | 5.3 | CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)C[C@H](c2ccccc2)c2ccccc21 | 10.1021/jm00048a015 | ||
| 14802538 | 96228 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL263969 | 96228 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 14802538 | 96228 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm970065l | ||
| CHEMBL263969 | 96228 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm970065l | ||
| 136056456 | 204019 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 5 | 1 | 4 | 5.8 | CC(C)Oc1cccc(-n2c(/C=C/c3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00092a003 | ||
| CHEMBL82690 | 204019 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 5 | 1 | 4 | 5.8 | CC(C)Oc1cccc(-n2c(/C=C/c3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00092a003 | ||
| 44370393 | 119126 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 14 | 2 | 3 | 5.4 | CCCCCN(CCCCC)C(=O)C(CCC(=O)N1CCCC1)NC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm00164a020 | ||
| CHEMBL346784 | 119126 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 14 | 2 | 3 | 5.4 | CCCCCN(CCCCC)C(=O)C(CCC(=O)N1CCCC1)NC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm00164a020 | ||
| 44280714 | 99558 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 726 | 14 | 6 | 9 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL286908 | 99558 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 726 | 14 | 6 | 9 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 108187 | 911 | 30 | None | -9 | 5 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00086a017 | ||
| 873 | 911 | 30 | None | -9 | 5 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00086a017 | ||
| CHEMBL2062154 | 911 | 30 | None | -9 | 5 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00086a017 | ||
| CHEMBL287735 | 911 | 30 | None | -9 | 5 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00086a017 | ||
| 14991567 | 198108 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 847 | 20 | 8 | 8 | 4.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL59404 | 198108 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 847 | 20 | 8 | 8 | 4.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44280973 | 99392 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 704 | 12 | 4 | 5 | 5.9 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NC1CCC2CCCCC2C1 | 10.1021/jm950372w | ||
| CHEMBL285857 | 99392 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 704 | 12 | 4 | 5 | 5.9 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NC1CCC2CCCCC2C1 | 10.1021/jm950372w | ||
| 44361604 | 31247 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 621 | 8 | 3 | 4 | 4.9 | O=C(N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm991078x | ||
| CHEMBL140320 | 31247 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 621 | 8 | 3 | 4 | 4.9 | O=C(N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm991078x | ||
| 10392870 | 28872 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 552 | 7 | 2 | 5 | 5.4 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)OCc2ccccc2)C1=O | 10.1021/jm00078a018 | ||
| CHEMBL138122 | 28872 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 552 | 7 | 2 | 5 | 5.4 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)OCc2ccccc2)C1=O | 10.1021/jm00078a018 | ||
| 9845465 | 118341 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 428 | 5 | 3 | 4 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCO)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL342201 | 118341 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 428 | 5 | 3 | 4 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCO)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44280314 | 169116 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL443781 | 169116 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| 14208272 | 67382 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 455 | 3 | 1 | 3 | 4.4 | CN1C(=O)[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907841 | 67382 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 455 | 3 | 1 | 3 | 4.4 | CN1C(=O)[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44280495 | 98656 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 641 | 10 | 5 | 8 | 3.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL280980 | 98656 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 641 | 10 | 5 | 8 | 3.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44334438 | 108755 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 513 | 9 | 2 | 4 | 5.2 | Cc1cccc(NC(=O)N[C@@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)[C@@H](C)OCc2ccccc2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL321800 | 108755 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 513 | 9 | 2 | 4 | 5.2 | Cc1cccc(NC(=O)N[C@@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)[C@@H](C)OCc2ccccc2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 14208308 | 67386 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 513 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2ccccc2I)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907845 | 67386 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 513 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2ccccc2I)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14991544 | 106309 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 857 | 22 | 10 | 10 | 2.6 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144543 | 106309 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 857 | 22 | 10 | 10 | 2.6 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 90663991 | 106324 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 868 | 22 | 8 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144560 | 106324 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 868 | 22 | 8 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44370406 | 49602 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 529 | 16 | 2 | 4 | 6.6 | CCCCCN(CCCCC)C(=O)C(CCC(=O)OCc1ccccc1)NC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm00164a020 | ||
| CHEMBL156814 | 49602 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 529 | 16 | 2 | 4 | 6.6 | CCCCCN(CCCCC)C(=O)C(CCC(=O)OCc1ccccc1)NC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm00164a020 | ||
| 15719707 | 78063 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 368 | 8 | 3 | 3 | 2.9 | CC(C)(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL2111829 | 78063 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 368 | 8 | 3 | 3 | 2.9 | CC(C)(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| 44280387 | 119250 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 559 | 8 | 3 | 4 | 5.4 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)Nc1ccccc1C(=O)O | 10.1021/jm950372w | ||
| CHEMBL34797 | 119250 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 559 | 8 | 3 | 4 | 5.4 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)Nc1ccccc1C(=O)O | 10.1021/jm950372w | ||
| 10550527 | 205635 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 429 | 6 | 3 | 6 | 4.2 | CCOc1cccc(-n2c(NNC(=O)Nc3cccc(C)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL9377 | 205635 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 429 | 6 | 3 | 6 | 4.2 | CCOc1cccc(-n2c(NNC(=O)Nc3cccc(C)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 44280090 | 99062 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 640 | 11 | 4 | 4 | 5.7 | O=C(O)CC(Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL283460 | 99062 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 640 | 11 | 4 | 4 | 5.7 | O=C(O)CC(Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 44281205 | 114307 | 0 | None | - | 1 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 857 | 17 | 4 | 10 | 5.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33412 | 114307 | 0 | None | - | 1 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 857 | 17 | 4 | 10 | 5.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280028 | 98707 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 768 | 17 | 6 | 9 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL281318 | 98707 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 768 | 17 | 6 | 9 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44381852 | 58719 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 723 | 20 | 7 | 8 | 3.2 | CCCC[C@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)O | 10.1016/S0960-894X(97)00107-8 | ||
| CHEMBL169398 | 58719 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 723 | 20 | 7 | 8 | 3.2 | CCCC[C@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)O | 10.1016/S0960-894X(97)00107-8 | ||
| 10601173 | 30963 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 491 | 6 | 3 | 3 | 5.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCCC1 | 10.1021/jm970065l | ||
| CHEMBL140073 | 30963 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 491 | 6 | 3 | 3 | 5.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCCC1 | 10.1021/jm970065l | ||
| 10649606 | 49334 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 519 | 6 | 3 | 4 | 4.5 | O=C(CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2015.03.051 | ||
| CHEMBL156605 | 49334 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 519 | 6 | 3 | 4 | 4.5 | O=C(CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2015.03.051 | ||
| 57390472 | 67398 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 3.3 | COc1cccc(CC(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00120a002 | ||
| CHEMBL1907856 | 67398 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 3.3 | COc1cccc(CC(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00120a002 | ||
| 44329383 | 107792 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 526 | 6 | 3 | 3 | 5.5 | Cc1cccc(NC(=O)N[C@H]2C[C@H](c3ccccc3)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL319749 | 107792 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 526 | 6 | 3 | 3 | 5.5 | Cc1cccc(NC(=O)N[C@H]2C[C@H](c3ccccc3)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL107694 | 206738 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||||
| CHEMBL156559 | 207052 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00173a006 | ||||
| 44381480 | 59128 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 825 | 20 | 7 | 8 | 4.6 | Cc1ccccc1NC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1016/S0960-894X(00)80680-0 | ||
| CHEMBL171227 | 59128 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 825 | 20 | 7 | 8 | 4.6 | Cc1ccccc1NC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1016/S0960-894X(00)80680-0 | ||
| CHEMBL156559 | 207052 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00031a013 | ||||
| 44375073 | 54639 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 554 | 10 | 6 | 7 | 4.0 | O=C(O)c1ccccc1NS(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL161426 | 54639 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 554 | 10 | 6 | 7 | 4.0 | O=C(O)c1ccccc1NS(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| 44370446 | 119083 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 15 | 2 | 4 | 5.4 | CCCCCN(CCCCC)C(=O)C(CCC(=O)OCC)NC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm00164a020 | ||
| CHEMBL346361 | 119083 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 15 | 2 | 4 | 5.4 | CCCCCN(CCCCC)C(=O)C(CCC(=O)OCC)NC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm00164a020 | ||
| CHEMBL156559 | 207052 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||||
| 44303510 | 11913 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 617 | 17 | 6 | 9 | 1.5 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)[C@@H](Cc1ccccc1)C(N)=O)n1nnnc1[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN | 10.1016/S0960-894X(01)81005-2 | ||
| CHEMBL1183386 | 11913 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 617 | 17 | 6 | 9 | 1.5 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)[C@@H](Cc1ccccc1)C(N)=O)n1nnnc1[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN | 10.1016/S0960-894X(01)81005-2 | ||
| CHEMBL294329 | 11913 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 617 | 17 | 6 | 9 | 1.5 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)[C@@H](Cc1ccccc1)C(N)=O)n1nnnc1[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN | 10.1016/S0960-894X(01)81005-2 | ||
| 44329305 | 108725 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 610 | 7 | 3 | 3 | 7.5 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC(C(C)(C)C)C(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL321752 | 108725 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 610 | 7 | 3 | 3 | 7.5 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC(C(C)(C)C)C(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 155540394 | 172357 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1820 | 69 | 17 | 23 | 2.7 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4516794 | 172357 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1820 | 69 | 17 | 23 | 2.7 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 155566319 | 175157 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 1850 | 71 | 16 | 23 | 3.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4583158 | 175157 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 1850 | 71 | 16 | 23 | 3.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 14843041 | 124509 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 6.0 | CCc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL36436 | 124509 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 6.0 | CCc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 14843043 | 129609 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 489 | 5 | 1 | 4 | 6.1 | CSc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL36779 | 129609 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 489 | 5 | 1 | 4 | 6.1 | CSc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 44356645 | 25556 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 419 | 3 | 2 | 4 | 3.7 | CN1C(=O)C(NC(=O)Nc2ccc(Cl)nc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL135290 | 25556 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 419 | 3 | 2 | 4 | 3.7 | CN1C(=O)C(NC(=O)Nc2ccc(Cl)nc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10455302 | 27775 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 429 | 4 | 2 | 5 | 3.6 | CN1C(=O)C(NC(=O)Nc2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL137240 | 27775 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 429 | 4 | 2 | 5 | 3.6 | CN1C(=O)C(NC(=O)Nc2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44280501 | 99548 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 698 | 12 | 4 | 5 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NC1CCCc2ccccc21 | 10.1021/jm950372w | ||
| CHEMBL286847 | 99548 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 698 | 12 | 4 | 5 | 5.6 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NC1CCCc2ccccc21 | 10.1021/jm950372w | ||
| 19766160 | 58186 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 456 | 4 | 2 | 3 | 3.9 | O=C(Nc1cccc2ccccc12)NC1CCc2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL168386 | 58186 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 456 | 4 | 2 | 3 | 3.9 | O=C(Nc1cccc2ccccc12)NC1CCc2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1016/S0960-894X(00)80683-6 | ||
| 44356619 | 118278 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 4 | 2 | 5 | 3.1 | COc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cn1 | 10.1021/jm00078a018 | ||
| CHEMBL342142 | 118278 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 4 | 2 | 5 | 3.1 | COc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cn1 | 10.1021/jm00078a018 | ||
| 44281004 | 99604 | 0 | None | - | 1 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 773 | 15 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL287295 | 99604 | 0 | None | - | 1 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 773 | 15 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 10373344 | 166070 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 844 | 21 | 8 | 7 | 3.8 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL428103 | 166070 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 844 | 21 | 8 | 7 | 3.8 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| 10476766 | 102513 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 412 | 3 | 3 | 3 | 3.9 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 | 10.1021/jm00120a002 | ||
| CHEMBL306806 | 102513 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 412 | 3 | 3 | 3 | 3.9 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 | 10.1021/jm00120a002 | ||
| 14208312 | 77454 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 437 | 3 | 1 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL2092865 | 77454 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 437 | 3 | 1 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44375711 | 53147 | 0 | None | - | 0 | Mouse | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 492 | 10 | 6 | 7 | 1.9 | O=C(O)CNS(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL160092 | 53147 | 0 | None | - | 0 | Mouse | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 492 | 10 | 6 | 7 | 1.9 | O=C(O)CNS(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| 14843037 | 138081 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 429 | 5 | 1 | 4 | 5.3 | COc1cccc(-n2c(CCc3c[nH]c4ccc(Cl)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37758 | 138081 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 429 | 5 | 1 | 4 | 5.3 | COc1cccc(-n2c(CCc3c[nH]c4ccc(Cl)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 90663995 | 106328 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 919 | 23 | 9 | 11 | 2.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144564 | 106328 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 919 | 23 | 9 | 11 | 2.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 10033396 | 108089 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 824 | 20 | 8 | 7 | 3.5 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL320405 | 108089 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 824 | 20 | 8 | 7 | 3.5 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL156559 | 207052 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||||
| 14991579 | 100508 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 862 | 21 | 9 | 8 | 3.7 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C/c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL294304 | 100508 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 862 | 21 | 9 | 8 | 3.7 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C/c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 10555164 | 112244 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 575 | 7 | 1 | 4 | 6.0 | CC(C)N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(F)cc1 | 10.1021/jm970265x | ||
| CHEMBL330521 | 112244 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 575 | 7 | 1 | 4 | 6.0 | CC(C)N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(F)cc1 | 10.1021/jm970265x | ||
| 44369350 | 119555 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 2 | 5 | 4.5 | Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL350683 | 119555 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 2 | 5 | 4.5 | Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 10323690 | 100019 | 0 | None | - | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL2114401 | 100019 | 0 | None | - | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL291033 | 100019 | 0 | None | - | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00105a062 | ||
| 10102593 | 140961 | 1 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1048 | 29 | 10 | 12 | 3.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL384505 | 140961 | 1 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1048 | 29 | 10 | 12 | 3.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 10413618 | 201094 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL62205 | 201094 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| 10073082 | 24918 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 462 | 3 | 2 | 3 | 4.4 | CN1C(=O)C(NC(=O)Nc2ccc(Br)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL134750 | 24918 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 462 | 3 | 2 | 3 | 4.4 | CN1C(=O)C(NC(=O)Nc2ccc(Br)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10075297 | 114994 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 518 | 6 | 3 | 5 | 4.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)Nc3ccncc3)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL335239 | 114994 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 518 | 6 | 3 | 5 | 4.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)Nc3ccncc3)C2=O)c1 | 10.1021/jm00078a018 | ||
| 10323690 | 100019 | 0 | None | - | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL2114401 | 100019 | 0 | None | - | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL291033 | 100019 | 0 | None | - | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00057a005 | ||
| 10413618 | 201094 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1021/jm970065l | ||
| CHEMBL62205 | 201094 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1021/jm970065l | ||
| 44336539 | 5060 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 563 | 7 | 2 | 5 | 4.6 | COc1ccc(N(C)C(=O)CN2C(=O)C(NC(=O)Nc3ccccc3)C(=O)N(c3ccccc3)c3ccccc32)cc1 | 10.1016/j.bmcl.2015.03.051 | ||
| CHEMBL105775 | 5060 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 563 | 7 | 2 | 5 | 4.6 | COc1ccc(N(C)C(=O)CN2C(=O)C(NC(=O)Nc3ccccc3)C(=O)N(c3ccccc3)c3ccccc32)cc1 | 10.1016/j.bmcl.2015.03.051 | ||
| 44210427 | 120242 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 459 | 4 | 2 | 4 | 4.7 | CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2cccc3ccccc23)CCc2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL355319 | 120242 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 459 | 4 | 2 | 4 | 4.7 | CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2cccc3ccccc23)CCc2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| 14843033 | 136419 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 433 | 4 | 1 | 3 | 5.7 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(C(F)(F)F)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37439 | 136419 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 433 | 4 | 1 | 3 | 5.7 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(C(F)(F)F)c1 | 10.1021/jm00108a040 | ||
| 14991564 | 106307 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 827 | 21 | 9 | 9 | 2.5 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144541 | 106307 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 827 | 21 | 9 | 9 | 2.5 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44280180 | 102147 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 655 | 11 | 5 | 8 | 3.6 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30430 | 102147 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 655 | 11 | 5 | 8 | 3.6 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 10010890 | 108237 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 874 | 22 | 8 | 8 | 4.3 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL320858 | 108237 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 874 | 22 | 8 | 8 | 4.3 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL319439 | 209462 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||||
| 44458049 | 98627 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 4 | 3 | 3 | 2.0 | O=C(N[C@@H]1C(=O)N(c2ccccc2)C[C@@H]1C(=O)O)c1cc2ccccc2[nH]1 | 10.1016/S0960-894X(00)80224-3 | ||
| CHEMBL280733 | 98627 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 4 | 3 | 3 | 2.0 | O=C(N[C@@H]1C(=O)N(c2ccccc2)C[C@@H]1C(=O)O)c1cc2ccccc2[nH]1 | 10.1016/S0960-894X(00)80224-3 | ||
| 13953709 | 161776 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 409 | 4 | 1 | 6 | 4.0 | O=C(NC1N=C(c2ccccc2)c2ccccc2-n2cnnc21)OCc1ccccc1 | 10.1021/jm00396a028 | ||
| CHEMBL416483 | 161776 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 409 | 4 | 1 | 6 | 4.0 | O=C(NC1N=C(c2ccccc2)c2ccccc2-n2cnnc21)OCc1ccccc1 | 10.1021/jm00396a028 | ||
| 14991538 | 106330 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 921 | 24 | 9 | 11 | 2.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144566 | 106330 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 921 | 24 | 9 | 11 | 2.4 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44334259 | 4390 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 435 | 8 | 2 | 3 | 4.8 | CCCC[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL101803 | 4390 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 435 | 8 | 2 | 3 | 4.8 | CCCC[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 | 10.1016/0960-894X(95)00537-3 | ||
| 44349327 | 16702 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 334 | 8 | 3 | 3 | 2.2 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1ccccc1 | 10.1021/jm00079a003 | ||
| CHEMBL125083 | 16702 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 334 | 8 | 3 | 3 | 2.2 | CC(C)(C)CCNC(=O)C(CCC(=O)O)NC(=O)c1ccccc1 | 10.1021/jm00079a003 | ||
| 155564421 | 174686 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 1770 | 69 | 16 | 21 | 3.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4572516 | 174686 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 1770 | 69 | 16 | 21 | 3.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 44368368 | 120551 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 8 | 3 | 3 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1Cl)C(=O)NCCc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL357027 | 120551 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 8 | 3 | 3 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1Cl)C(=O)NCCc1ccccc1 | 10.1021/jm00057a005 | ||
| 44212546 | 99453 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 626 | 10 | 4 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL286228 | 99453 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 626 | 10 | 4 | 4 | 5.3 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| 44280407 | 119193 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 658 | 12 | 3 | 5 | 4.7 | CN(Cc1ccccc1)C(=O)[C@@H](CC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL34743 | 119193 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 658 | 12 | 3 | 5 | 4.7 | CN(Cc1ccccc1)C(=O)[C@@H](CC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 9870046 | 26128 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 486 | 5 | 3 | 6 | 3.4 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(Cc2nn[nH]n2)C1=O | 10.1021/jm00078a018 | ||
| CHEMBL135901 | 26128 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 486 | 5 | 3 | 6 | 3.4 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(Cc2nn[nH]n2)C1=O | 10.1021/jm00078a018 | ||
| CHEMBL99786 | 214142 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00173a006 | ||||
| 10603571 | 167944 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 594 | 9 | 3 | 6 | 4.0 | COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 | 10.1021/jm000959x | ||
| CHEMBL435407 | 167944 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 594 | 9 | 3 | 6 | 4.0 | COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 | 10.1021/jm000959x | ||
| 10838675 | 205474 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 487 | 8 | 3 | 8 | 4.1 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OCC)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL9267 | 205474 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 487 | 8 | 3 | 8 | 4.1 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OCC)c2)c1 | 10.1021/jm970373j | ||
| 10719721 | 205687 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 486 | 7 | 3 | 8 | 3.8 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(N(C)C)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL9406 | 205687 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 486 | 7 | 3 | 8 | 3.8 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(N(C)C)c2)c1 | 10.1021/jm970373j | ||
| 14888738 | 97889 | 0 | None | - | 0 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 984 | 28 | 10 | 13 | 0.8 | CSCC[C@H](NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| CHEMBL275167 | 97889 | 0 | None | - | 0 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 984 | 28 | 10 | 13 | 0.8 | CSCC[C@H](NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| 44348902 | 155209 | 0 | None | - | 0 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1000 | 24 | 11 | 11 | 2.3 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(NC(=O)[C@H](Cc2ccc(S(=O)(=O)O)cc2)NC(=O)O)ccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| CHEMBL405805 | 155209 | 0 | None | - | 0 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1000 | 24 | 11 | 11 | 2.3 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(NC(=O)[C@H](Cc2ccc(S(=O)(=O)O)cc2)NC(=O)O)ccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| 10389657 | 24439 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 462 | 3 | 2 | 3 | 4.4 | CN1C(=O)C(NC(=O)Nc2cccc(Br)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL134340 | 24439 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 462 | 3 | 2 | 3 | 4.4 | CN1C(=O)C(NC(=O)Nc2cccc(Br)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 9987406 | 95908 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 717 | 8 | 5 | 6 | 5.9 | O=C(O)c1cc(NC(=O)C2Cc3ccccc3CCCCN2C(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/S0960-894X(97)00211-4 | ||
| CHEMBL26167 | 95908 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 717 | 8 | 5 | 6 | 5.9 | O=C(O)c1cc(NC(=O)C2Cc3ccccc3CCCCN2C(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/S0960-894X(97)00211-4 | ||
| 44301016 | 157421 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 673 | 7 | 4 | 6 | 4.5 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)NS(=O)(=O)C(F)(F)F)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL408490 | 157421 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 673 | 7 | 4 | 6 | 4.5 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)NS(=O)(=O)C(F)(F)F)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| 5311201 | 205653 | 30 | None | -26 | 6 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00092a007 | ||
| CHEMBL9387 | 205653 | 30 | None | -26 | 6 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00092a007 | ||
| 5311201 | 205653 | 30 | None | -26 | 6 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00105a062 | ||
| CHEMBL9387 | 205653 | 30 | None | -26 | 6 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00105a062 | ||
| 5311201 | 205653 | 30 | None | -26 | 6 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00057a005 | ||
| CHEMBL9387 | 205653 | 30 | None | -26 | 6 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00057a005 | ||
| CHEMBL2386885 | 208642 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C#CCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cn(CC(=O)NCCC(=O)NCCCC(CCCNC(=O)CCNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)(NC(=O)CNC(=O)CCNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)C(=O)NCCC(N)=O)nn1 | 10.1016/j.bmcl.2013.02.022 | ||||
| 104929 | 2180 | 8 | None | 51 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1039/C7MD00171A | ||
| 3477 | 2180 | 8 | None | 51 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1039/C7MD00171A | ||
| 879 | 2180 | 8 | None | 51 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1039/C7MD00171A | ||
| CHEMBL289498 | 2180 | 8 | None | 51 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1039/C7MD00171A | ||
| 10770670 | 92047 | 0 | None | 301 | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 663 | 11 | 6 | 6 | 4.9 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/S0960-894X(97)00211-4 | ||
| CHEMBL2067959 | 92047 | 0 | None | 301 | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 663 | 11 | 6 | 6 | 4.9 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/S0960-894X(97)00211-4 | ||
| CHEMBL24313 | 92047 | 0 | None | 301 | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 663 | 11 | 6 | 6 | 4.9 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/S0960-894X(97)00211-4 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00108a040 | ||
| 10319892 | 58767 | 2 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL169661 | 58767 | 2 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| 10319892 | 58767 | 2 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL169661 | 58767 | 2 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| 4627 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm991078x | ||||
| 864 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm991078x | ||||
| 9833444 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm991078x | ||||
| CHEMBL1121 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm991078x | ||||
| DB09142 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm991078x | ||||
| 51353551 | 17935 | 10 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 605 | 8 | 3 | 5 | 5.0 | CC(C)N(C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1016/j.bmcl.2015.03.051 | ||
| CHEMBL1269257 | 17935 | 10 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 605 | 8 | 3 | 5 | 5.0 | CC(C)N(C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1016/j.bmcl.2015.03.051 | ||
| 4627 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0498755 | ||||
| 864 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0498755 | ||||
| 9833444 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0498755 | ||||
| CHEMBL1121 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0498755 | ||||
| DB09142 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0498755 | ||||
| 4627 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010898i | ||||
| 864 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010898i | ||||
| 9833444 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010898i | ||||
| CHEMBL1121 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010898i | ||||
| DB09142 | 807 | 44 | None | 1 | 5 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010898i | ||||
| 444998 | 207564 | 26 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm010813d | ||||
| CHEMBL216166 | 207564 | 26 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm010813d | ||||
| 11757086 | 25457 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 541 | 10 | 2 | 6 | 4.2 | CCN(CC)CC(=O)OCCN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL135218 | 25457 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 541 | 10 | 2 | 6 | 4.2 | CCN(CC)CC(=O)OCCN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 9960964 | 85552 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 638 | 12 | 5 | 7 | 4.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCc1nnn[nH]1)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| CHEMBL2304152 | 85552 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 638 | 12 | 5 | 7 | 4.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCc1nnn[nH]1)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| 10341247 | 119572 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 405 | 2 | 2 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(N3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| CHEMBL350853 | 119572 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 405 | 2 | 2 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(N3CCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| 10695559 | 58713 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 467 | 5 | 4 | 7 | 2.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(Nc3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm9506736 | ||
| CHEMBL169362 | 58713 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 467 | 5 | 4 | 7 | 2.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(Nc3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm9506736 | ||
| 44356799 | 25844 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 452 | 3 | 2 | 3 | 4.7 | CN1C(=O)C(NC(=O)Nc2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL135538 | 25844 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 452 | 3 | 2 | 3 | 4.7 | CN1C(=O)C(NC(=O)Nc2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 155557285 | 173936 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1779 | 74 | 19 | 22 | 1.6 | CCCC[C@H](NC(=O)[C@H](CNC(=O)CCCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4555341 | 173936 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1779 | 74 | 19 | 22 | 1.6 | CCCC[C@H](NC(=O)[C@H](CNC(=O)CCCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 10789229 | 97915 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 440 | 6 | 3 | 7 | 3.8 | CCOc1cccc(-n2c(NNC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL275307 | 97915 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 440 | 6 | 3 | 7 | 3.8 | CCOc1cccc(-n2c(NNC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 10837829 | 98099 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 463 | 6 | 3 | 6 | 5.0 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL276627 | 98099 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 463 | 6 | 3 | 6 | 5.0 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 10029145 | 97705 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 7 | 2 | 5 | 4.6 | CCOC(=O)CCN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL273919 | 97705 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 7 | 2 | 5 | 4.6 | CCOC(=O)CCN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44357068 | 164319 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 456 | 5 | 3 | 4 | 3.6 | CN1C(=O)C(NC(=O)NCc2cccc(C(C)(C)O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL422102 | 164319 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 456 | 5 | 3 | 4 | 3.6 | CN1C(=O)C(NC(=O)NCc2cccc(C(C)(C)O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10601831 | 96044 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 6 | 3 | 7 | 5.0 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2Cl)c1 | 10.1021/jm970373j | ||
| CHEMBL262569 | 96044 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 6 | 3 | 7 | 5.0 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2Cl)c1 | 10.1021/jm970373j | ||
| CHEMBL287753 | 209112 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CS[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 10552615 | 29085 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 6 | 3 | 3 | 5.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1 | 10.1021/jm970065l | ||
| CHEMBL138311 | 29085 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 6 | 3 | 3 | 5.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1 | 10.1021/jm970065l | ||
| 44451577 | 95328 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 6 | 2 | 5 | 2.1 | Cc1cccc(NC(=O)NC2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL258630 | 95328 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 6 | 2 | 5 | 2.1 | Cc1cccc(NC(=O)NC2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| 10483574 | 6114 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 591 | 8 | 2 | 5 | 5.3 | COc1ccc(N(C(=O)CN2C(=O)C(NC(=O)Nc3ccccc3)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm950626d | ||
| CHEMBL108130 | 6114 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 591 | 8 | 2 | 5 | 5.3 | COc1ccc(N(C(=O)CN2C(=O)C(NC(=O)Nc3ccccc3)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm950626d | ||
| 21121108 | 81573 | 1 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1048 | 29 | 10 | 12 | 3.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL216527 | 81573 | 1 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1048 | 29 | 10 | 12 | 3.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL431116 | 211865 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00123a003 | ||||
| CHEMBL386811 | 210636 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)OCCc1ccccc1 | 10.1021/jm00072a024 | ||||
| 44356620 | 28434 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 400 | 3 | 3 | 5 | 2.6 | CN1C(=O)C(NC(=O)Nc2ccc(N)nc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL137748 | 28434 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 400 | 3 | 3 | 5 | 2.6 | CN1C(=O)C(NC(=O)Nc2ccc(N)nc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 11744065 | 78388 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 442 | 4 | 2 | 5 | 3.6 | CC(=O)Oc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL2112750 | 78388 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 442 | 4 | 2 | 5 | 3.6 | CC(=O)Oc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 178143 | 16658 | 2 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 440 | 14 | 2 | 3 | 5.0 | CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc2ccccc2c1 | 10.1021/jm00079a003 | ||
| CHEMBL124832 | 16658 | 2 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 440 | 14 | 2 | 3 | 5.0 | CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc2ccccc2c1 | 10.1021/jm00079a003 | ||
| 44349083 | 117547 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CCC(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL340463 | 117547 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CCC(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44210426 | 58791 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 449 | 4 | 2 | 4 | 2.2 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL169807 | 58791 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 449 | 4 | 2 | 4 | 2.2 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 44381593 | 119953 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 854 | 23 | 9 | 10 | 3.3 | CN(C(=O)[C@H](CC(=O)O)NNC[C@H](CCCCNC(=O)/C=C\c1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80680-0 | ||
| CHEMBL354171 | 119953 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 854 | 23 | 9 | 10 | 3.3 | CN(C(=O)[C@H](CC(=O)O)NNC[C@H](CCCCNC(=O)/C=C\c1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80680-0 | ||
| 14208249 | 202916 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 387 | 3 | 2 | 3 | 3.7 | Cc1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL73510 | 202916 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 387 | 3 | 2 | 3 | 3.7 | Cc1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1 | 10.1021/jm00120a002 | ||
| 14444006 | 41158 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 649 | 16 | 6 | 6 | 3.8 | CC(C)CC(CC(=O)NC(CC(=O)O)C(=O)NCCc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| CHEMBL149034 | 41158 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 649 | 16 | 6 | 6 | 3.8 | CC(C)CC(CC(=O)NC(CC(=O)O)C(=O)NCCc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| 90663980 | 106314 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 891 | 21 | 8 | 8 | 4.6 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144549 | 106314 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 891 | 21 | 8 | 8 | 4.6 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 90663981 | 106315 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 891 | 21 | 8 | 8 | 4.6 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144550 | 106315 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 891 | 21 | 8 | 8 | 4.6 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44280224 | 104292 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 757 | 16 | 4 | 7 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL31090 | 104292 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 757 | 16 | 4 | 7 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44381749 | 12774 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 540 | 14 | 1 | 4 | 4.9 | CCCCCN(CCCCC)C(=O)C(CCC(=O)N1CCN(C)CC1)NC(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL1188959 | 12774 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 540 | 14 | 1 | 4 | 4.9 | CCCCCN(CCCCC)C(=O)C(CCC(=O)N1CCN(C)CC1)NC(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL537834 | 12774 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 540 | 14 | 1 | 4 | 4.9 | CCCCCN(CCCCC)C(=O)C(CCC(=O)N1CCN(C)CC1)NC(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/S0960-894X(00)80681-2 | ||
| 14444025 | 106186 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1 | 10.1021/jm00123a003 | ||
| CHEMBL3143400 | 106186 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1 | 10.1021/jm00123a003 | ||
| 44366188 | 164753 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)CC(CC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| CHEMBL423405 | 164753 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 692 | 17 | 7 | 7 | 2.7 | CC(C)CC(CC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm00123a003 | ||
| 44306744 | 102180 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 782 | 20 | 9 | 7 | 2.5 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||
| CHEMBL304524 | 102180 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 782 | 20 | 9 | 7 | 2.5 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||
| CHEMBL319438 | 209461 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00017a022 | ||||
| 44306887 | 101578 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 816 | 18 | 9 | 7 | 3.4 | CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||
| CHEMBL302027 | 101578 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 816 | 18 | 9 | 7 | 3.4 | CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||
| 44349150 | 17428 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 340 | 9 | 3 | 3 | 2.2 | CCCCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL125829 | 17428 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 340 | 9 | 3 | 3 | 2.2 | CCCCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| 10651635 | 164709 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 630 | 9 | 3 | 7 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL423119 | 164709 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 630 | 9 | 3 | 7 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 44375448 | 119370 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 596 | 13 | 5 | 7 | 4.2 | O=C(O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL349046 | 119370 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 596 | 13 | 5 | 7 | 4.2 | O=C(O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| 90663993 | 106326 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 901 | 21 | 8 | 8 | 4.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(Br)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144562 | 106326 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 901 | 21 | 8 | 8 | 4.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(Br)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44368594 | 120525 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 447 | 8 | 3 | 3 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1)C(=O)NCCc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL356810 | 120525 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 447 | 8 | 3 | 3 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1)C(=O)NCCc1ccccc1 | 10.1021/jm00057a005 | ||
| 10318742 | 24788 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 399 | 3 | 2 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL134657 | 24788 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 399 | 3 | 2 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 10071645 | 27770 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 435 | 3 | 2 | 4 | 4.2 | CN1C(=O)C(NC(=O)Nc2ccc3ncccc3c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL137238 | 27770 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 435 | 3 | 2 | 4 | 4.2 | CN1C(=O)C(NC(=O)Nc2ccc3ncccc3c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44331849 | 110988 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 3 | 0 | 4 | 5.7 | CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1CCc2ccccc2C1 | 10.1016/S0960-894X(96)00546-X | ||
| CHEMBL327727 | 110988 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 3 | 0 | 4 | 5.7 | CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1CCc2ccccc2C1 | 10.1016/S0960-894X(96)00546-X | ||
| 10350551 | 107956 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 838 | 21 | 8 | 7 | 3.9 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL319913 | 107956 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 838 | 21 | 8 | 7 | 3.9 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL317477 | 209447 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||||
| 10320031 | 77457 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL2092868 | 77457 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14991577 | 162681 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 870 | 20 | 9 | 8 | 4.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL418500 | 162681 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 870 | 20 | 9 | 8 | 4.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 5279123 | 202826 | 1 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 389 | 3 | 2 | 3 | 3.9 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1Cl | 10.1021/jm00120a002 | ||
| CHEMBL72841 | 202826 | 1 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 389 | 3 | 2 | 3 | 3.9 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1Cl | 10.1021/jm00120a002 | ||
| 11707484 | 132605 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 717 | 10 | 6 | 6 | 3.7 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1C[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)N2C1=O | 10.1021/jm050689o | ||
| CHEMBL370355 | 132605 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 717 | 10 | 6 | 6 | 3.7 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1C[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)N2C1=O | 10.1021/jm050689o | ||
| 10627173 | 204806 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 586 | 8 | 1 | 4 | 6.5 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3c[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm960249k | ||
| CHEMBL88602 | 204806 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 586 | 8 | 1 | 4 | 6.5 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3c[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm960249k | ||
| 10627173 | 204806 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 586 | 8 | 1 | 4 | 6.5 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3c[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL88602 | 204806 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 586 | 8 | 1 | 4 | 6.5 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3c[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| 10392523 | 206196 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL96970 | 206196 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44381463 | 96365 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1124 | 30 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL265147 | 96365 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1124 | 30 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL2370119 | 208030 | 0 | None | - | 0 | Bovine | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)C(Cc1cccc(CC(=O)O)c1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||||
| 44334345 | 163291 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 4.0 | Cc1cccc(NC(=O)N[C@H](CCC(=O)N2CCCC2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL420658 | 163291 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 4.0 | Cc1cccc(NC(=O)N[C@H](CCC(=O)N2CCCC2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 14208297 | 67389 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 513 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@@H](NC(=O)c2ccc(I)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907848 | 67389 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 513 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@@H](NC(=O)c2ccc(I)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 90663983 | 106317 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 891 | 21 | 8 | 8 | 4.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144552 | 106317 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 891 | 21 | 8 | 8 | 4.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44327420 | 111084 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 571 | 10 | 2 | 5 | 5.3 | COC(=O)CN(CCc1ccccc1)C(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL328213 | 111084 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 571 | 10 | 2 | 5 | 5.3 | COC(=O)CN(CCc1ccccc1)C(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1016/S0960-894X(01)80769-1 | ||
| 155553269 | 173545 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 1818 | 68 | 15 | 22 | 3.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4545970 | 173545 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 1818 | 68 | 15 | 22 | 3.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 44280694 | 99803 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 571 | 11 | 3 | 5 | 4.4 | CSCCC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL289018 | 99803 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 571 | 11 | 3 | 5 | 4.4 | CSCCC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 10649303 | 205713 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 6 | 3 | 6 | 5.1 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL9422 | 205713 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 6 | 3 | 6 | 5.1 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 44373701 | 52196 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 541 | 8 | 4 | 4 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N/C(=C\c1ccccc1)C(=O)O | 10.1016/S0960-894X(01)81250-6 | ||
| CHEMBL159138 | 52196 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 541 | 8 | 4 | 4 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N/C(=C\c1ccccc1)C(=O)O | 10.1016/S0960-894X(01)81250-6 | ||
| CHEMBL2079549 | 207438 | 0 | None | - | 0 | Bovine | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(CC(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||||
| 10046672 | 115569 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 402 | 3 | 2 | 3 | 3.8 | CN1C(=O)C(NC(=O)Nc2cccc(F)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL335666 | 115569 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 402 | 3 | 2 | 3 | 3.8 | CN1C(=O)C(NC(=O)Nc2cccc(F)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10813333 | 104861 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 447 | 5 | 2 | 4 | 4.2 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@H]2CCCCN2C)c2ccccc21 | 10.1021/jm9608523 | ||
| CHEMBL311638 | 104861 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 447 | 5 | 2 | 4 | 4.2 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@H]2CCCCN2C)c2ccccc21 | 10.1021/jm9608523 | ||
| 10070678 | 120229 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL355092 | 120229 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00121a004 | ||
| 44382562 | 58776 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 662 | 13 | 5 | 5 | 5.8 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccc(O)cc1)NCCc1ccccc1 | 10.1016/S0960-894X(00)80687-3 | ||
| CHEMBL169710 | 58776 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 662 | 13 | 5 | 5 | 5.8 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccc(O)cc1)NCCc1ccccc1 | 10.1016/S0960-894X(00)80687-3 | ||
| 44280117 | 101568 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 672 | 12 | 3 | 6 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30195 | 101568 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 672 | 12 | 3 | 6 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 10070678 | 120229 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL355092 | 120229 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| 44210428 | 58787 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 485 | 4 | 2 | 4 | 3.1 | CN1CCN(C(=O)CN2C(=O)C(NC(=O)Nc3cccc4ccccc34)CCc3ccccc32)CC1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL169794 | 58787 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 485 | 4 | 2 | 4 | 3.1 | CN1CCN(C(=O)CN2C(=O)C(NC(=O)Nc3cccc4ccccc34)CCc3ccccc32)CC1 | 10.1016/S0960-894X(00)80683-6 | ||
| 14208254 | 202791 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 403 | 4 | 2 | 4 | 3.4 | COc1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL72599 | 202791 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 403 | 4 | 2 | 4 | 3.4 | COc1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1 | 10.1021/jm00120a002 | ||
| 10345812 | 18448 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 5 | 3 | 3 | 5.0 | Cc1ccccc1NC(=O)N[C@@H]1C[C@H](c2ccccc2)c2ccccc2N(CC(=O)NC(C)(C)C)C1=O | 10.1021/jm00048a015 | ||
| CHEMBL127687 | 18448 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 5 | 3 | 3 | 5.0 | Cc1ccccc1NC(=O)N[C@@H]1C[C@H](c2ccccc2)c2ccccc2N(CC(=O)NC(C)(C)C)C1=O | 10.1021/jm00048a015 | ||
| 14843034 | 99666 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 409 | 5 | 1 | 4 | 5.0 | COc1cccc(-n2c(CCc3c[nH]c4ccc(C)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL287739 | 99666 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 409 | 5 | 1 | 4 | 5.0 | COc1cccc(-n2c(CCc3c[nH]c4ccc(C)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 14208259 | 202447 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 545 | 4 | 1 | 4 | 5.9 | O=C(NC1N=C(c2ccccc2F)c2ccccc2N(C(=O)c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL70593 | 202447 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 545 | 4 | 1 | 4 | 5.9 | O=C(NC1N=C(c2ccccc2F)c2ccccc2N(C(=O)c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1 | 10.1021/jm00120a002 | ||
| 44382563 | 120226 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 742 | 15 | 5 | 7 | 5.3 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCc1ccc(OS(=O)(=O)O)cc1 | 10.1016/S0960-894X(00)80687-3 | ||
| CHEMBL355052 | 120226 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 742 | 15 | 5 | 7 | 5.3 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCc1ccc(OS(=O)(=O)O)cc1 | 10.1016/S0960-894X(00)80687-3 | ||
| 44280388 | 116356 | 0 | None | - | 1 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 759 | 15 | 4 | 8 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL33819 | 116356 | 0 | None | - | 1 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 759 | 15 | 4 | 8 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280115 | 106730 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 658 | 11 | 3 | 6 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL31671 | 106730 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 658 | 11 | 3 | 6 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44382706 | 58696 | 1 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 475 | 3 | 2 | 2 | 5.9 | O=C1NN(C(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL169274 | 58696 | 1 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 475 | 3 | 2 | 2 | 5.9 | O=C1NN(C(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| 19766161 | 58856 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 403 | 4 | 3 | 3 | 3.4 | O=C(O)CN1C(=O)C(NC(=O)Nc2cccc3ccccc23)CCc2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL170068 | 58856 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 403 | 4 | 3 | 3 | 3.4 | O=C(O)CN1C(=O)C(NC(=O)Nc2cccc3ccccc23)CCc2ccccc21 | 10.1016/S0960-894X(00)80683-6 | ||
| 44311988 | 102544 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 412 | 5 | 2 | 4 | 2.5 | CN1C(=O)[C@H](NC(=O)[C@H](N)Cc2ccccc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL307034 | 102544 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 412 | 5 | 2 | 4 | 2.5 | CN1C(=O)[C@H](NC(=O)[C@H](N)Cc2ccccc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44359881 | 118784 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 4.1 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)CCC(=O)OCc1ccccc1 | 10.1021/jm00163a069 | ||
| CHEMBL343969 | 118784 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 4.1 | CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)CCC(=O)OCc1ccccc1 | 10.1021/jm00163a069 | ||
| 136055866 | 56208 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 468 | 4 | 3 | 7 | 3.4 | CN1C(=O)[C@H](NC(=O)Nc2ccc(-c3noc(O)n3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| CHEMBL163610 | 56208 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 468 | 4 | 3 | 7 | 3.4 | CN1C(=O)[C@H](NC(=O)Nc2ccc(-c3noc(O)n3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| 135494573 | 166183 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 395 | 3 | 2 | 6 | 3.5 | Cc1ccc(-n2c(N/N=C3\C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1 | 10.1039/C7MD00171A | ||
| CHEMBL4283467 | 166183 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 395 | 3 | 2 | 6 | 3.5 | Cc1ccc(-n2c(N/N=C3\C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1 | 10.1039/C7MD00171A | ||
| 44329442 | 205928 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1ccc([C@H]2C[C@@H](c3ccccc3)C[C@@H](NC(=O)Nc3cccc(C)c3)C(=O)N2CC(=O)NC(C)(C)C)cc1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL95369 | 205928 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1ccc([C@H]2C[C@@H](c3ccccc3)C[C@@H](NC(=O)Nc3cccc(C)c3)C(=O)N2CC(=O)NC(C)(C)C)cc1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL3142689 | 209375 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CC(C)(C)NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| 13605417 | 205824 | 3 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL9485 | 205824 | 3 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 14 | 2 | 3 | 5.2 | CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/S0960-894X(00)80681-2 | ||
| 15104618 | 108541 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 496 | 13 | 3 | 2 | 6.8 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm00116a002 | ||
| CHEMBL321265 | 108541 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 496 | 13 | 3 | 2 | 6.8 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm00116a002 | ||
| 44408632 | 157680 | 0 | None | -2454 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1212 | 31 | 12 | 15 | 3.8 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL408832 | 157680 | 0 | None | -2454 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1212 | 31 | 12 | 15 | 3.8 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| 155555065 | 173752 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 1836 | 71 | 17 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4550876 | 173752 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 1836 | 71 | 17 | 23 | 2.9 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 11801355 | 116355 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 8 | 3 | 6 | 3.6 | COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 | 10.1021/jm000959x | ||
| CHEMBL338186 | 116355 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 8 | 3 | 6 | 3.6 | COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 | 10.1021/jm000959x | ||
| 10744012 | 96917 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 8 | 3 | 8 | 4.5 | CCOC(=O)c1ccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)cc1 | 10.1021/jm970373j | ||
| CHEMBL269662 | 96917 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 8 | 3 | 8 | 4.5 | CCOC(=O)c1ccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)cc1 | 10.1021/jm970373j | ||
| 73349806 | 95982 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL262155 | 95982 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 44280122 | 99026 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 640 | 10 | 3 | 4 | 5.7 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL283276 | 99026 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 640 | 10 | 3 | 4 | 5.7 | CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| 44280622 | 118696 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 698 | 12 | 4 | 5 | 5.9 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2c1CCCC2 | 10.1021/jm950372w | ||
| CHEMBL34332 | 118696 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 698 | 12 | 4 | 5 | 5.9 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2c1CCCC2 | 10.1021/jm950372w | ||
| 6918156 | 96826 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 990 | 29 | 9 | 11 | 2.0 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL269016 | 96826 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 990 | 29 | 9 | 11 | 2.0 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 14991585 | 100544 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 919 | 21 | 7 | 10 | 4.3 | CC(=O)Oc1ccc2cc(C(=O)NCCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc3ccccc3)C(N)=O)ccc2c1 | 10.1021/jm00089a010 | ||
| CHEMBL294542 | 100544 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 919 | 21 | 7 | 10 | 4.3 | CC(=O)Oc1ccc2cc(C(=O)NCCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc3ccccc3)C(N)=O)ccc2c1 | 10.1021/jm00089a010 | ||
| 44279862 | 98660 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 702 | 13 | 3 | 7 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL281017 | 98660 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 702 | 13 | 3 | 7 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 15689730 | 106101 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 854 | 21 | 9 | 8 | 4.4 | CC(C)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142694 | 106101 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 854 | 21 | 9 | 8 | 4.4 | CC(C)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 10079035 | 163298 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 796 | 21 | 8 | 7 | 2.9 | CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL420667 | 163298 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 796 | 21 | 8 | 7 | 2.9 | CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| 44334379 | 108273 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 435 | 7 | 2 | 3 | 4.7 | Cc1cccc(NC(=O)N[C@H](CC(C)C)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL320901 | 108273 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 435 | 7 | 2 | 3 | 4.7 | Cc1cccc(NC(=O)N[C@H](CC(C)C)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 155540739 | 171930 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1907 | 74 | 17 | 24 | 2.5 | CCCC[C@H](NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4483457 | 171930 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1907 | 74 | 17 | 24 | 2.5 | CCCC[C@H](NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 10009894 | 25409 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 694 | 13 | 6 | 6 | 4.9 | Cc1ccccc1NC(=O)NCCCC[C@@H](CC(=O)O)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 | 10.1016/s0960-894x(01)00630-8 | ||
| CHEMBL13517 | 25409 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 694 | 13 | 6 | 6 | 4.9 | Cc1ccccc1NC(=O)NCCCC[C@@H](CC(=O)O)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 | 10.1016/s0960-894x(01)00630-8 | ||
| 14843039 | 118257 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 7 | 1 | 4 | 6.2 | CCCOc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL34198 | 118257 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 7 | 1 | 4 | 6.2 | CCCOc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 44303233 | 100175 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 5.0 | C[C@](Cc1c[nH]c2ccc(F)cc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL292194 | 100175 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 5.0 | C[C@](Cc1c[nH]c2ccc(F)cc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 10416987 | 12088 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 539 | 5 | 2 | 4 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CC[N+](C)(C)CC3)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL1184312 | 12088 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 539 | 5 | 2 | 4 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CC[N+](C)(C)CC3)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL343949 | 12088 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 539 | 5 | 2 | 4 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CC[N+](C)(C)CC3)C2=O)c1 | 10.1021/jm00078a018 | ||
| 14208300 | 77455 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 465 | 3 | 1 | 3 | 4.2 | CN1C(=O)[C@H](NC(=O)c2ccccc2Br)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL2092866 | 77455 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 465 | 3 | 1 | 3 | 4.2 | CN1C(=O)[C@H](NC(=O)c2ccccc2Br)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44349392 | 16624 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 394 | 7 | 3 | 3 | 3.4 | CC1(C)CCC(NC(=O)C(CCC(=O)O)NC(=O)c2cccc(Cl)c2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL124712 | 16624 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 394 | 7 | 3 | 3 | 3.4 | CC1(C)CCC(NC(=O)C(CCC(=O)O)NC(=O)c2cccc(Cl)c2)CC1 | 10.1021/jm00079a003 | ||
| 71461592 | 78062 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 421 | 7 | 3 | 4 | 3.0 | O=C(O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL2111828 | 78062 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 421 | 7 | 3 | 4 | 3.0 | O=C(O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 10530003 | 96542 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 520 | 7 | 2 | 5 | 5.3 | CC(C)Oc1cccc(-n2c(CCNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL266598 | 96542 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 520 | 7 | 2 | 5 | 5.3 | CC(C)Oc1cccc(-n2c(CCNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 10530003 | 96542 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 520 | 7 | 2 | 5 | 5.3 | CC(C)Oc1cccc(-n2c(CCNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| CHEMBL266598 | 96542 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 520 | 7 | 2 | 5 | 5.3 | CC(C)Oc1cccc(-n2c(CCNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| 10698905 | 205135 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 605 | 8 | 1 | 5 | 6.0 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4cc(F)ccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL90697 | 205135 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 605 | 8 | 1 | 5 | 6.0 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4cc(F)ccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| 10027443 | 116019 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 4.3 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(Cc3ncc[nH]3)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL336221 | 116019 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 4.3 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(Cc3ncc[nH]3)C2=O)c1 | 10.1021/jm00078a018 | ||
| 14991534 | 106296 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 825 | 22 | 8 | 8 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144531 | 106296 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 825 | 22 | 8 | 8 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44381960 | 119760 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 474 | 3 | 3 | 4 | 4.6 | CN1C(=O)[C@@H](NC(=O)Nc2cc3c4ccccc4nc-3c[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL352573 | 119760 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 474 | 3 | 3 | 4 | 4.6 | CN1C(=O)[C@@H](NC(=O)Nc2cc3c4ccccc4nc-3c[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| 10576429 | 204898 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 7 | 3 | 8 | 3.7 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)c1 | 10.1021/jm970373j | ||
| CHEMBL8920 | 204898 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 7 | 3 | 8 | 3.7 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)c1 | 10.1021/jm970373j | ||
| CHEMBL2386887 | 208644 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | C#CCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cn(CC(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(=O)NCCCC(CCCNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)(NC(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)C(=O)NCCC(N)=O)nn1 | 10.1016/j.bmcl.2013.02.022 | ||||
| 73349793 | 204720 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 638 | 12 | 5 | 7 | 4.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCc1nnn[nH]1)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL88090 | 204720 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 638 | 12 | 5 | 7 | 4.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCc1nnn[nH]1)c1ccccc1 | 10.1021/jm00092a007 | ||
| 44356788 | 116193 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)CCl)C1=O | 10.1021/jm00078a018 | ||
| CHEMBL337286 | 116193 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)CCl)C1=O | 10.1021/jm00078a018 | ||
| 10408567 | 118761 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 | 10.1021/jm00078a018 | ||
| CHEMBL343767 | 118761 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 | 10.1021/jm00078a018 | ||
| 4627 | 807 | 44 | None | 1 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00107-8 | ||||
| 864 | 807 | 44 | None | 1 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00107-8 | ||||
| 9833444 | 807 | 44 | None | 1 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00107-8 | ||||
| CHEMBL1121 | 807 | 44 | None | 1 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00107-8 | ||||
| DB09142 | 807 | 44 | None | 1 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00107-8 | ||||
| 44367000 | 119178 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 6 | 2 | 4 | 5.1 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| CHEMBL347329 | 119178 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 6 | 2 | 4 | 5.1 | Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1016/0960-894X(95)00556-9 | ||
| 44303243 | 201227 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 545 | 9 | 5 | 5 | 4.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL62832 | 201227 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 545 | 9 | 5 | 5 | 4.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 44359376 | 118841 | 1 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 493 | 6 | 4 | 4 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1O | 10.1021/jm970065l | ||
| CHEMBL344380 | 118841 | 1 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 493 | 6 | 4 | 4 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1O | 10.1021/jm970065l | ||
| 44283055 | 116099 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 515 | 9 | 4 | 4 | 4.4 | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)Cc1ccccc1)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(00)80156-0 | ||
| CHEMBL336769 | 116099 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 515 | 9 | 4 | 4 | 4.4 | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)Cc1ccccc1)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(00)80156-0 | ||
| 73346724 | 204358 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 681 | 13 | 5 | 9 | 5.0 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)NC1N=NN=N1)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL85607 | 204358 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 681 | 13 | 5 | 9 | 5.0 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)NC1N=NN=N1)c1ccccc1 | 10.1021/jm00092a007 | ||
| 9984452 | 164740 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL423329 | 164740 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00105a062 | ||
| 44368624 | 120607 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 513 | 9 | 4 | 3 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL357564 | 120607 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 513 | 9 | 4 | 3 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 9984452 | 29486 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm970065l | ||
| CHEMBL138657 | 29486 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm970065l | ||
| 15673180 | 85556 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 681 | 13 | 6 | 8 | 3.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)Nc1nn[nH]n1)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| CHEMBL2304157 | 85556 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 681 | 13 | 6 | 8 | 3.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)Nc1nn[nH]n1)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00001a027 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00001a027 | ||
| 10484212 | 99404 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 635 | 6 | 3 | 7 | 4.3 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(-c3nn[nH]n3)c1)N=C2c1ccccc1F | 10.1016/S0960-894X(96)00609-9 | ||
| CHEMBL285921 | 99404 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 635 | 6 | 3 | 7 | 4.3 | Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(-c3nn[nH]n3)c1)N=C2c1ccccc1F | 10.1016/S0960-894X(96)00609-9 | ||
| 9984452 | 164740 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL423329 | 164740 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 10475990 | 115485 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 | 10.1021/jm00078a018 | ||
| CHEMBL33554 | 115485 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 | 10.1021/jm00078a018 | ||
| 44368633 | 46267 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 588 | 12 | 5 | 5 | 4.3 | C[C@@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL153787 | 46267 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 588 | 12 | 5 | 5 | 4.3 | C[C@@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 10577834 | 116231 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 518 | 6 | 3 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CC2CCC(CC2)C1 | 10.1021/jm970065l | ||
| CHEMBL337529 | 116231 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 518 | 6 | 3 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CC2CCC(CC2)C1 | 10.1021/jm970065l | ||
| 15637206 | 78476 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 428 | 4 | 3 | 4 | 3.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(C(=O)O)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| CHEMBL2112932 | 78476 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 428 | 4 | 3 | 4 | 3.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(C(=O)O)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00032a003 | ||
| 44269000 | 32682 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 671 | 14 | 6 | 5 | 6.3 | Cc1ccccc1NC(=O)NCCCC[C@@H](CC(=O)O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/s0960-894x(00)00198-0 | ||
| CHEMBL14153 | 32682 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 671 | 14 | 6 | 5 | 6.3 | Cc1ccccc1NC(=O)NCCCC[C@@H](CC(=O)O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/s0960-894x(00)00198-0 | ||
| 10099144 | 114030 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 552 | 5 | 3 | 3 | 6.0 | CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccc(Cl)cc21 | 10.1021/jm00048a015 | ||
| CHEMBL333671 | 114030 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 552 | 5 | 3 | 3 | 6.0 | CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccc(Cl)cc21 | 10.1021/jm00048a015 | ||
| 44269000 | 32682 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 671 | 14 | 6 | 5 | 6.3 | Cc1ccccc1NC(=O)NCCCC[C@@H](CC(=O)O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/s0960-894x(01)00630-8 | ||
| CHEMBL14153 | 32682 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 671 | 14 | 6 | 5 | 6.3 | Cc1ccccc1NC(=O)NCCCC[C@@H](CC(=O)O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/s0960-894x(01)00630-8 | ||
| 9853654 | 22573 | 37 | None | - | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00079a003 | ||
| CHEMBL1328 | 22573 | 37 | None | - | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00079a003 | ||
| 10392523 | 206196 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL96970 | 206196 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 10075052 | 189072 | 0 | None | -10 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 510 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL515268 | 189072 | 0 | None | -10 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 510 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL515288 | 189072 | 0 | None | -10 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 510 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10409900 | 103368 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 420 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2C[C@@H](N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00234-K | ||
| CHEMBL30919 | 103368 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 420 | 3 | 2 | 3 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2C[C@@H](N3CCCCCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00234-K | ||
| 44368382 | 45069 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 511 | 9 | 4 | 4 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1Cl)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL152682 | 45069 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 511 | 9 | 4 | 4 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1Cl)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 71452818 | 79289 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 541 | 9 | 4 | 4 | 5.3 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)C(=Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(00)80273-5 | ||
| CHEMBL2115543 | 79289 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 541 | 9 | 4 | 4 | 5.3 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)C(=Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(00)80273-5 | ||
| 44280372 | 98915 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 787 | 17 | 4 | 8 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL282645 | 98915 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 787 | 17 | 4 | 8 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL287751 | 209111 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| CHEMBL37900 | 210507 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCS[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 10816869 | 51561 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 569 | 8 | 3 | 5 | 5.2 | COC(=O)[C@]1(NC(=O)[C@@](C)(Cc2c[nH]c3ccccc23)NC(=O)OC2C3CC4CC(C3)CC2C4)C[C@H]1c1ccccc1 | 10.1016/S0960-894X(01)81250-6 | ||
| CHEMBL158547 | 51561 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 569 | 8 | 3 | 5 | 5.2 | COC(=O)[C@]1(NC(=O)[C@@](C)(Cc2c[nH]c3ccccc23)NC(=O)OC2C3CC4CC(C3)CC2C4)C[C@H]1c1ccccc1 | 10.1016/S0960-894X(01)81250-6 | ||
| 44211354 | 12740 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 536 | 6 | 1 | 4 | 4.2 | CN1CCN(C(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCCC3)CC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL1188705 | 12740 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 536 | 6 | 1 | 4 | 4.2 | CN1CCN(C(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCCC3)CC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL537171 | 12740 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 536 | 6 | 1 | 4 | 4.2 | CN1CCN(C(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCCC3)CC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| 44381489 | 96732 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1124 | 30 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL268337 | 96732 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1124 | 30 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 44349069 | 117543 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL340413 | 117543 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44280115 | 106730 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 658 | 11 | 3 | 6 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL31671 | 106730 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 658 | 11 | 3 | 6 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 9853654 | 22573 | 37 | None | 31 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00079a003 | ||
| CHEMBL1328 | 22573 | 37 | None | 31 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00079a003 | ||
| 44375216 | 56231 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 596 | 13 | 5 | 7 | 3.8 | O=C(O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL163816 | 56231 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 596 | 13 | 5 | 7 | 3.8 | O=C(O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| 44375424 | 119625 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 610 | 14 | 5 | 7 | 4.2 | O=C(O)CN(CCCc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| CHEMBL351310 | 119625 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 610 | 14 | 5 | 7 | 4.2 | O=C(O)CN(CCCc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 | 10.1016/s0960-894x(01)00044-0 | ||
| 44377589 | 119640 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 635 | 15 | 6 | 6 | 3.8 | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)NC(=O)CCc1ccccc1 | 10.1021/jm00388a002 | ||
| CHEMBL351506 | 119640 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 635 | 15 | 6 | 6 | 3.8 | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)NC(=O)CCc1ccccc1 | 10.1021/jm00388a002 | ||
| 44349101 | 16650 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 468 | 7 | 3 | 3 | 5.0 | O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL124805 | 16650 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 468 | 7 | 3 | 3 | 5.0 | O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| 13953698 | 101426 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 464 | 5 | 1 | 5 | 5.1 | CN(C)Cc1nnc2n1-c1ccccc1C(c1ccccc1F)=N[C@@H]2Cc1c[nH]c2ccccc12 | 10.1021/jm00396a028 | ||
| CHEMBL300926 | 101426 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 464 | 5 | 1 | 5 | 5.1 | CN(C)Cc1nnc2n1-c1ccccc1C(c1ccccc1F)=N[C@@H]2Cc1c[nH]c2ccccc12 | 10.1021/jm00396a028 | ||
| 14208273 | 67381 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 457 | 7 | 1 | 3 | 5.1 | CCCCCc1ccc(C(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL1907840 | 67381 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 457 | 7 | 1 | 3 | 5.1 | CCCCCc1ccc(C(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)cc1 | 10.1021/jm00120a002 | ||
| 155517761 | 169645 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1900 | 71 | 16 | 23 | 4.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4445529 | 169645 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1900 | 71 | 16 | 23 | 4.4 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 10507071 | 113098 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 | 10.1021/jm0501127 | ||
| CHEMBL332261 | 113098 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 | 10.1021/jm0501127 | ||
| 10002123 | 78386 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL2112748 | 78386 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44280316 | 96303 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 680 | 11 | 4 | 5 | 5.8 | O=C(C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL264606 | 96303 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 680 | 11 | 4 | 5 | 5.8 | O=C(C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| 44210426 | 58791 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 449 | 4 | 2 | 4 | 2.2 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL169807 | 58791 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 449 | 4 | 2 | 4 | 2.2 | Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 10011110 | 160770 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 948 | 24 | 8 | 7 | 5.7 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL412544 | 160770 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 948 | 24 | 8 | 7 | 5.7 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL106722 | 206720 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||||
| 14991536 | 106331 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 841 | 22 | 9 | 9 | 2.9 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144567 | 106331 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 841 | 22 | 9 | 9 | 2.9 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL170026 | 207087 | 0 | None | - | 0 | Mouse | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||||
| 10744084 | 205413 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 503 | 8 | 3 | 9 | 3.7 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL9230 | 205413 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 503 | 8 | 3 | 9 | 3.7 | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)c1 | 10.1021/jm970373j | ||
| 44279853 | 104301 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 10 | 3 | 4 | 5.6 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](CC1CCCCC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL31093 | 104301 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 10 | 3 | 4 | 5.6 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](CC1CCCCC1)C(=O)O | 10.1021/jm950372w | ||
| 10507071 | 113098 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 | 10.1021/jm991078x | ||
| CHEMBL332261 | 113098 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 | 10.1021/jm991078x | ||
| 44396744 | 123515 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.4 | CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)CC12 | 10.1021/jm0498755 | ||
| CHEMBL363106 | 123515 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.4 | CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)CC12 | 10.1021/jm0498755 | ||
| 10626665 | 10149 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]12 | 10.1021/jm010898i | ||
| CHEMBL116127 | 10149 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]12 | 10.1021/jm010898i | ||
| 10626665 | 10149 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]12 | 10.1021/jm010813d | ||
| CHEMBL116127 | 10149 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]12 | 10.1021/jm010813d | ||
| CHEMBL385727 | 210604 | 0 | None | - | 0 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00100a033 | ||||
| 14888722 | 76880 | 0 | None | - | 0 | Bovine | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1055 | 30 | 11 | 14 | -0.2 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(Cc2nnn[nH]2)cc1)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| CHEMBL2079601 | 76880 | 0 | None | - | 0 | Bovine | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1055 | 30 | 11 | 14 | -0.2 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(Cc2nnn[nH]2)cc1)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| CHEMBL2079548 | 207437 | 0 | None | - | 0 | Bovine | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(C(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||||
| 44280245 | 99560 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 708 | 12 | 3 | 5 | 6.2 | CN(C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL286941 | 99560 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 708 | 12 | 3 | 5 | 6.2 | CN(C(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL2370120 | 208031 | 0 | None | - | 0 | Bovine | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](Cc1ccc(CCC(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||||
| 14208312 | 77454 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 437 | 3 | 1 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL2092865 | 77454 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 437 | 3 | 1 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44381513 | 168118 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1139 | 31 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL436690 | 168118 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1139 | 31 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 44349324 | 16479 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.4 | O=C(O)CCC(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL124261 | 16479 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.4 | O=C(O)CCC(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 10693825 | 205317 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 428 | 5 | 3 | 6 | 3.9 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(N(C)C)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL9171 | 205317 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 428 | 5 | 3 | 6 | 3.9 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(N(C)C)c2)c1 | 10.1021/jm970373j | ||
| 44354125 | 22934 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 5.2 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL133101 | 22934 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 5.2 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| 14802539 | 76184 | 1 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL2062144 | 76184 | 1 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 44280414 | 101376 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 708 | 13 | 4 | 5 | 5.9 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL30061 | 101376 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 708 | 13 | 4 | 5 | 5.9 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1cccc2ccccc12 | 10.1021/jm950372w | ||
| 44280388 | 116356 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 759 | 15 | 4 | 8 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL33819 | 116356 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 759 | 15 | 4 | 8 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 11613212 | 71742 | 0 | None | - | 3 | Dog | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 513 | 7 | 3 | 4 | 6.4 | Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(COC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| CHEMBL197780 | 71742 | 0 | None | - | 3 | Dog | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 513 | 7 | 3 | 4 | 6.4 | Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(COC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| CHEMBL1171596 | 206827 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 14208236 | 202965 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 426 | 3 | 2 | 4 | 3.9 | Cn1c(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL73885 | 202965 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 426 | 3 | 2 | 4 | 3.9 | Cn1c(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc2ccccc21 | 10.1021/jm00120a002 | ||
| 23129945 | 9504 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 604 | 16 | 2 | 4 | 7.8 | CCCCCN(CCCCC)C(=O)C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| CHEMBL112612 | 9504 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 604 | 16 | 2 | 4 | 7.8 | CCCCCN(CCCCC)C(=O)C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| 44306868 | 101600 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 836 | 18 | 9 | 7 | 3.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||
| CHEMBL302150 | 101600 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 836 | 18 | 9 | 7 | 3.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O | 10.1021/jm00001a027 | ||
| 10000984 | 116130 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 399 | 3 | 2 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3cnccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL336972 | 116130 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 399 | 3 | 2 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3cnccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44281020 | 116131 | 0 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 773 | 16 | 4 | 8 | 6.2 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33698 | 116131 | 0 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 773 | 16 | 4 | 8 | 6.2 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44327458 | 206111 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 571 | 11 | 3 | 4 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCC(=O)O)CCc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL96469 | 206111 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 571 | 11 | 3 | 4 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCC(=O)O)CCc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| 10432393 | 99869 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 422 | 3 | 3 | 3 | 4.4 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O | 10.1021/jm00121a004 | ||
| CHEMBL289533 | 99869 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 422 | 3 | 3 | 3 | 4.4 | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O | 10.1021/jm00121a004 | ||
| 10323690 | 100019 | 0 | None | - | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL2114401 | 100019 | 0 | None | - | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00086a017 | ||
| CHEMBL291033 | 100019 | 0 | None | - | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00086a017 | ||
| 10418081 | 109870 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 840 | 23 | 9 | 8 | 2.4 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL324219 | 109870 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 840 | 23 | 9 | 8 | 2.4 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL319438 | 209461 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||||
| 14208274 | 168715 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 443 | 3 | 1 | 3 | 4.7 | CN1C(=O)C(NC(=O)c2ccc(C(C)(C)C)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL441445 | 168715 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 443 | 3 | 1 | 3 | 4.7 | CN1C(=O)C(NC(=O)c2ccc(C(C)(C)C)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL169054 | 207082 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00105a068 | ||||
| 13822922 | 188482 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 436 | 3 | 2 | 5 | 4.2 | O=C(NC1N=C(c2ccccc2F)c2ccccc2-n2cnnc21)c1cc2ccccc2[nH]1 | 10.1021/jm00396a028 | ||
| CHEMBL50986 | 188482 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 436 | 3 | 2 | 5 | 4.2 | O=C(NC1N=C(c2ccccc2F)c2ccccc2-n2cnnc21)c1cc2ccccc2[nH]1 | 10.1021/jm00396a028 | ||
| 73349806 | 95982 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL262155 | 95982 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1019 | 29 | 9 | 11 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCOc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| 44329287 | 205891 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 6 | 3 | 3 | 5.7 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccc(F)cc3)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL95209 | 205891 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 6 | 3 | 3 | 5.7 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccc(F)cc3)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL169054 | 207082 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(97)00107-8 | ||||
| 10553685 | 118633 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 508 | 8 | 3 | 5 | 4.2 | COC[C@@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm970065l | ||
| CHEMBL342907 | 118633 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 508 | 8 | 3 | 5 | 4.2 | COC[C@@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm970065l | ||
| 19766160 | 58186 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 456 | 4 | 2 | 3 | 3.9 | O=C(Nc1cccc2ccccc12)NC1CCc2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL168386 | 58186 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 456 | 4 | 2 | 3 | 3.9 | O=C(Nc1cccc2ccccc12)NC1CCc2ccccc2N(CC(=O)N2CCCC2)C1=O | 10.1016/S0960-894X(00)80683-6 | ||
| 14208232 | 202429 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 452 | 5 | 3 | 4 | 3.2 | O=C(O)CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL70456 | 202429 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 452 | 5 | 3 | 4 | 3.2 | O=C(O)CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL2111881 | 207466 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)[C@H](C)c1c[nH]c2ccccc12 | 10.1021/jm960078j | ||||
| CHEMBL2111882 | 207467 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)c1c[nH]c2ccccc12 | 10.1021/jm960078j | ||||
| 10485763 | 109175 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 860 | 21 | 8 | 8 | 4.2 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL322635 | 109175 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 860 | 21 | 8 | 8 | 4.2 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| 44379627 | 57809 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 520 | 7 | 2 | 5 | 4.9 | CC(C)Oc1cccc(-n2c(CNC(=O)NCc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| CHEMBL167758 | 57809 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 520 | 7 | 2 | 5 | 4.9 | CC(C)Oc1cccc(-n2c(CNC(=O)NCc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| 44280246 | 101681 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2ccccc2c1 | 10.1021/jm950372w | ||
| CHEMBL30262 | 101681 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2ccccc2c1 | 10.1021/jm950372w | ||
| 44280510 | 102469 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 621 | 10 | 3 | 4 | 5.5 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1ccc(Cl)cc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30639 | 102469 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 621 | 10 | 3 | 4 | 5.5 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NC(Cc1ccc(Cl)cc1)C(=O)O | 10.1021/jm950372w | ||
| 10341040 | 116096 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 402 | 3 | 2 | 3 | 3.8 | CN1C(=O)C(NC(=O)Nc2ccc(F)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL336749 | 116096 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 402 | 3 | 2 | 3 | 3.8 | CN1C(=O)C(NC(=O)Nc2ccc(F)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10363545 | 204017 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 3 | 2 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL82685 | 204017 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 3 | 2 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 10363545 | 204017 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 3 | 2 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9608523 | ||
| CHEMBL82685 | 204017 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 3 | 2 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9608523 | ||
| 44329286 | 106708 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3cccc(C)c3)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL316619 | 106708 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3cccc(C)c3)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 155568312 | 175494 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1836 | 72 | 17 | 23 | 3.0 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4591101 | 175494 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1836 | 72 | 17 | 23 | 3.0 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 44280713 | 99557 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 740 | 15 | 6 | 9 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL286907 | 99557 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 740 | 15 | 6 | 9 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 155543163 | 172705 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1886 | 72 | 16 | 25 | 2.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4525615 | 172705 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1886 | 72 | 16 | 25 | 2.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 14843040 | 99667 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 527 | 6 | 1 | 4 | 6.7 | O=c1c2ccccc2nc(CCc2c[nH]c3ccc(Br)cc23)n1-c1cccc(OC2CCCC2)c1 | 10.1021/jm00108a040 | ||
| CHEMBL287740 | 99667 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 527 | 6 | 1 | 4 | 6.7 | O=c1c2ccccc2nc(CCc2c[nH]c3ccc(Br)cc23)n1-c1cccc(OC2CCCC2)c1 | 10.1021/jm00108a040 | ||
| 14843035 | 139284 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 425 | 6 | 1 | 5 | 4.7 | COc1cccc(-n2c(CCc3c[nH]c4ccc(OC)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37990 | 139284 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 425 | 6 | 1 | 5 | 4.7 | COc1cccc(-n2c(CCc3c[nH]c4ccc(OC)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 10479056 | 25966 | 11 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 452 | 3 | 2 | 3 | 5.0 | CN1C(=O)C(NC(=O)Nc2ccc(Cl)c(Cl)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL135702 | 25966 | 11 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 452 | 3 | 2 | 3 | 5.0 | CN1C(=O)C(NC(=O)Nc2ccc(Cl)c(Cl)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44279939 | 98846 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 637 | 10 | 3 | 4 | 6.0 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1cccc2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL282149 | 98846 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 637 | 10 | 3 | 4 | 6.0 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@H](Cc1cccc2ccccc12)C(=O)O | 10.1021/jm950372w | ||
| 14843023 | 137509 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 365 | 4 | 1 | 3 | 4.7 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccccc1 | 10.1021/jm00092a003 | ||
| CHEMBL37653 | 137509 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 365 | 4 | 1 | 3 | 4.7 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccccc1 | 10.1021/jm00092a003 | ||
| 14843023 | 137509 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 365 | 4 | 1 | 3 | 4.7 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccccc1 | 10.1021/jm00108a040 | ||
| CHEMBL37653 | 137509 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 365 | 4 | 1 | 3 | 4.7 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccccc1 | 10.1021/jm00108a040 | ||
| 136046102 | 100197 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 864 | 20 | 9 | 10 | 3.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cnc2cccc(O)c2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL292298 | 100197 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 864 | 20 | 9 | 10 | 3.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cnc2cccc(O)c2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 14208243 | 202702 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL72073 | 202702 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14208243 | 202702 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL72073 | 202702 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80682-4 | ||
| 19754257 | 119858 | 1 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 340 | 3 | 3 | 2 | 4.3 | O=C(Cc1c[nH]c2ccccc12)Nc1cc2c3ccccc3nc-2c[nH]1 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL353304 | 119858 | 1 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 340 | 3 | 3 | 2 | 4.3 | O=C(Cc1c[nH]c2ccccc12)Nc1cc2c3ccccc3nc-2c[nH]1 | 10.1016/S0960-894X(00)80682-4 | ||
| 44280406 | 119008 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 658 | 12 | 3 | 5 | 5.1 | CN(C(=O)[C@@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL34569 | 119008 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 658 | 12 | 3 | 5 | 5.1 | CN(C(=O)[C@@H](CCC(=O)O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1 | 10.1021/jm950372w | ||
| 44303650 | 100299 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.4 | O=C(NC1(C(=O)NCCc2ccccc2)CC2(Cc3cccc4cccc(c34)C2)C1)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL292956 | 100299 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.4 | O=C(NC1(C(=O)NCCc2ccccc2)CC2(Cc3cccc4cccc(c34)C2)C1)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(97)00356-9 | ||
| 14888706 | 76883 | 0 | None | - | 0 | Bovine | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1017 | 29 | 11 | 12 | 0.4 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(C(=O)O)cc1)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| CHEMBL2079604 | 76883 | 0 | None | - | 0 | Bovine | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1017 | 29 | 11 | 12 | 0.4 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(C(=O)O)cc1)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| 44303238 | 162674 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 536 | 10 | 4 | 6 | 3.8 | COc1ccc(CC(C)(NC(=O)OC2C3CC4CC(C3)CC2C4)C(=O)N[C@H](CO)[C@H](O)c2ccccc2)cc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL418464 | 162674 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 536 | 10 | 4 | 6 | 3.8 | COc1ccc(CC(C)(NC(=O)OC2C3CC4CC(C3)CC2C4)C(=O)N[C@H](CO)[C@H](O)c2ccccc2)cc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 14208295 | 67392 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 465 | 3 | 1 | 3 | 4.2 | CN1C(=O)[C@@H](NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907850 | 67392 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 465 | 3 | 1 | 3 | 4.2 | CN1C(=O)[C@@H](NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44279808 | 98671 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 712 | 13 | 6 | 9 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL281082 | 98671 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 712 | 13 | 6 | 9 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44209154 | 58770 | 1 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 315 | 4 | 2 | 2 | 4.2 | O=C(CCc1ccccc1)Nc1cc2c3ccccc3nc-2c[nH]1 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL169675 | 58770 | 1 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 315 | 4 | 2 | 2 | 4.2 | O=C(CCc1ccccc1)Nc1cc2c3ccccc3nc-2c[nH]1 | 10.1016/S0960-894X(00)80682-4 | ||
| 14208242 | 155870 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 4.0 | CCOC(=O)CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL40668 | 155870 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 4.0 | CCOC(=O)CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| 14208242 | 155870 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 4.0 | CCOC(=O)CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL40668 | 155870 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 4.0 | CCOC(=O)CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14843028 | 118241 | 5 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 5.3 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(Cl)c1 | 10.1021/jm00108a040 | ||
| CHEMBL34185 | 118241 | 5 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 5.3 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(Cl)c1 | 10.1021/jm00108a040 | ||
| 44379965 | 57518 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 6 | 2 | 5 | 5.5 | CC(C)Oc1cccc(-n2c(CNC(=O)Nc3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| CHEMBL167169 | 57518 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 6 | 2 | 5 | 5.5 | CC(C)Oc1cccc(-n2c(CNC(=O)Nc3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| 44280993 | 117820 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 678 | 12 | 4 | 5 | 5.5 | CC1(C)CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL34101 | 117820 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 678 | 12 | 4 | 5 | 5.5 | CC1(C)CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1021/jm950372w | ||
| 46235271 | 73286 | 2 | None | -2 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL2017835 | 73286 | 2 | None | -2 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| 10769902 | 204809 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 601 | 8 | 1 | 5 | 6.3 | COc1ccc(N(C(=O)CN2C(=O)C(C)(Cc3n[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm960249k | ||
| CHEMBL88629 | 204809 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 601 | 8 | 1 | 5 | 6.3 | COc1ccc(N(C(=O)CN2C(=O)C(C)(Cc3n[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm960249k | ||
| 10769902 | 204809 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 601 | 8 | 1 | 5 | 6.3 | COc1ccc(N(C(=O)CN2C(=O)C(C)(Cc3n[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL88629 | 204809 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 601 | 8 | 1 | 5 | 6.3 | COc1ccc(N(C(=O)CN2C(=O)C(C)(Cc3n[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1 | 10.1021/jm970265x | ||
| CHEMBL434674 | 211902 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | None | None | None | CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00031a013 | ||||
| 44303251 | 101751 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 618 | 12 | 5 | 5 | 4.6 | O=C(O)CCC(=O)N[C@@H](CNC(=O)C(Cc1c[nH]c2ccc(F)cc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL303020 | 101751 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 618 | 12 | 5 | 5 | 4.6 | O=C(O)CCC(=O)N[C@@H](CNC(=O)C(Cc1c[nH]c2ccc(F)cc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 443375 | 205862 | 40 | None | -389 | 5 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm991078x | ||
| CHEMBL9506 | 205862 | 40 | None | -389 | 5 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm991078x | ||
| 443375 | 205862 | 40 | None | -389 | 5 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm000959x | ||
| CHEMBL9506 | 205862 | 40 | None | -389 | 5 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm000959x | ||
| 44280621 | 103435 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 658 | 13 | 4 | 5 | 4.4 | O=C(O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCc1ccccc1 | 10.1021/jm950372w | ||
| CHEMBL30926 | 103435 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 658 | 13 | 4 | 5 | 4.4 | O=C(O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCc1ccccc1 | 10.1021/jm950372w | ||
| 13822923 | 193138 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 450 | 3 | 2 | 5 | 4.5 | Cc1nnc2n1-c1ccccc1C(c1ccccc1F)=NC2NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00396a028 | ||
| CHEMBL53907 | 193138 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 450 | 3 | 2 | 5 | 4.5 | Cc1nnc2n1-c1ccccc1C(c1ccccc1F)=NC2NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00396a028 | ||
| 44281205 | 114307 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 857 | 17 | 4 | 10 | 5.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33412 | 114307 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 857 | 17 | 4 | 10 | 5.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL386811 | 210636 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)OCCc1ccccc1 | 10.1021/jm00072a024 | ||||
| 104929 | 2180 | 8 | None | 51 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm00121a004 | ||
| 3477 | 2180 | 8 | None | 51 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm00121a004 | ||
| 879 | 2180 | 8 | None | 51 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm00121a004 | ||
| CHEMBL289498 | 2180 | 8 | None | 51 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm00121a004 | ||
| 11756709 | 22659 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 528 | 9 | 3 | 6 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)CCC(=O)O)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL132875 | 22659 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 528 | 9 | 3 | 6 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)CCC(=O)O)C2=O)c1 | 10.1021/jm00078a018 | ||
| 5311201 | 205653 | 30 | None | -26 | 6 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL9387 | 205653 | 30 | None | -26 | 6 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00108a040 | ||
| 10648445 | 58590 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 481 | 6 | 4 | 7 | 2.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm9506736 | ||
| CHEMBL168903 | 58590 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 481 | 6 | 4 | 7 | 2.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm9506736 | ||
| 10047669 | 78093 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL2111924 | 78093 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 46235271 | 73286 | 2 | None | -2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL2017835 | 73286 | 2 | None | -2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| 10003805 | 106965 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 448 | 4 | 2 | 5 | 2.9 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL318360 | 106965 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 448 | 4 | 2 | 5 | 2.9 | CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| 10369803 | 16390 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 532 | 7 | 3 | 3 | 5.7 | CCC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccccc21 | 10.1021/jm00048a015 | ||
| CHEMBL123951 | 16390 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 532 | 7 | 3 | 3 | 5.7 | CCC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccccc21 | 10.1021/jm00048a015 | ||
| 15667017 | 206425 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 974 | 28 | 10 | 11 | 1.7 | CCCC[C@H](NC(=O)/C=C/c1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL98332 | 206425 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 974 | 28 | 10 | 11 | 1.7 | CCCC[C@H](NC(=O)/C=C/c1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 10392698 | 116790 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 546 | 5 | 3 | 3 | 5.9 | Cc1ccc([C@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c3cc(C)ccc32)cc1 | 10.1021/jm00048a015 | ||
| CHEMBL339678 | 116790 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 546 | 5 | 3 | 3 | 5.9 | Cc1ccc([C@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c3cc(C)ccc32)cc1 | 10.1021/jm00048a015 | ||
| 10392523 | 206196 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL96970 | 206196 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 540 | 6 | 3 | 3 | 5.9 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44301036 | 197017 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 695 | 8 | 4 | 6 | 5.4 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)NS(=O)(=O)c3ccccc3C)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL58154 | 197017 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 695 | 8 | 4 | 6 | 5.4 | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)NS(=O)(=O)c3ccccc3C)c1)C[C@@H]2c1ccccc1 | 10.1016/0960-894X(95)00327-P | ||
| 15666987 | 206446 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 976 | 29 | 10 | 11 | 1.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL98446 | 206446 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 976 | 29 | 10 | 11 | 1.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 9934162 | 27508 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 4.3 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(Cc3c[nH]cn3)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL137043 | 27508 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 4.3 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(Cc3c[nH]cn3)C2=O)c1 | 10.1021/jm00078a018 | ||
| 101918113 | 114902 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 650 | 14 | 6 | 7 | 0.7 | CS[C@H]1C[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)N(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)C1 | 10.1021/jm00001a019 | ||
| CHEMBL3350334 | 114902 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 650 | 14 | 6 | 7 | 0.7 | CS[C@H]1C[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)N(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)C1 | 10.1021/jm00001a019 | ||
| CHEMBL37984 | 210510 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CCCS[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 73349790 | 105682 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 725 | 14 | 5 | 6 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL313756 | 105682 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 725 | 14 | 5 | 6 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccccc1 | 10.1021/jm00092a007 | ||
| 14994683 | 204250 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 437 | 6 | 1 | 4 | 6.0 | CC(C)Oc1cccc(-n2c(CC(C)c3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00092a003 | ||
| CHEMBL84659 | 204250 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 437 | 6 | 1 | 4 | 6.0 | CC(C)Oc1cccc(-n2c(CC(C)c3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00092a003 | ||
| 44381202 | 161270 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1139 | 31 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL414523 | 161270 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1139 | 31 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 44381463 | 96365 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1124 | 30 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL265147 | 96365 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1124 | 30 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 44396785 | 66827 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 7 | 2 | 5 | 4.6 | C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)C12 | 10.1021/jm0498755 | ||
| CHEMBL187732 | 66827 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 7 | 2 | 5 | 4.6 | C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)C12 | 10.1021/jm0498755 | ||
| 19910130 | 119273 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 439 | 14 | 3 | 3 | 4.9 | CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm00164a020 | ||
| CHEMBL348168 | 119273 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 439 | 14 | 3 | 3 | 4.9 | CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm00164a020 | ||
| 44349203 | 116540 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NN1CCC2(CCCCC2)C1 | 10.1021/jm00079a003 | ||
| CHEMBL339134 | 116540 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NN1CCC2(CCCCC2)C1 | 10.1021/jm00079a003 | ||
| 44211352 | 13857 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 522 | 6 | 1 | 4 | 3.8 | CN1CCN(C(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL1196916 | 13857 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 522 | 6 | 1 | 4 | 3.8 | CN1CCN(C(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| CHEMBL558614 | 13857 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 522 | 6 | 1 | 4 | 3.8 | CN1CCN(C(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 | 10.1016/S0960-894X(00)80681-2 | ||
| 15689728 | 106106 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 880 | 20 | 9 | 8 | 4.6 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1c(Cl)cccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142703 | 106106 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 880 | 20 | 9 | 8 | 4.6 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1c(Cl)cccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL431899 | 211871 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 44381577 | 96175 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 840 | 23 | 10 | 10 | 2.9 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(O)cc1)C(=O)N[C@H](CNN[C@@H](Cc1ccccc1)C(N)=O)CC(=O)O | 10.1016/S0960-894X(00)80680-0 | ||
| CHEMBL263525 | 96175 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 840 | 23 | 10 | 10 | 2.9 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(O)cc1)C(=O)N[C@H](CNN[C@@H](Cc1ccccc1)C(N)=O)CC(=O)O | 10.1016/S0960-894X(00)80680-0 | ||
| 44311923 | 202786 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 421 | 4 | 2 | 3 | 4.0 | O=C(Cc1ccc(Cl)cc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O | 10.1021/jm00120a002 | ||
| CHEMBL72570 | 202786 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 421 | 4 | 2 | 3 | 4.0 | O=C(Cc1ccc(Cl)cc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O | 10.1021/jm00120a002 | ||
| 14720386 | 48045 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 463 | 12 | 2 | 4 | 4.4 | CCCN(CCC)C(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00164a020 | ||
| CHEMBL155406 | 48045 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 463 | 12 | 2 | 4 | 4.4 | CCCN(CCC)C(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00164a020 | ||
| 14991539 | 106298 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 859 | 22 | 8 | 8 | 3.8 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(Cl)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144533 | 106298 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 859 | 22 | 8 | 8 | 3.8 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(Cl)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44349410 | 16583 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 394 | 7 | 3 | 3 | 3.5 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCCC1 | 10.1021/jm00079a003 | ||
| CHEMBL124459 | 16583 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 394 | 7 | 3 | 3 | 3.5 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCCC1 | 10.1021/jm00079a003 | ||
| CHEMBL172177 | 207098 | 0 | None | - | 0 | Mouse | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](Cc2ccccc2)NC(=O)[C@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||||
| 44280110 | 102404 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 587 | 10 | 3 | 4 | 4.9 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL30592 | 102404 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 587 | 10 | 3 | 4 | 4.9 | O=C(CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950372w | ||
| 10350069 | 9864 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 742 | 17 | 7 | 6 | 5.8 | Cc1ccccc1NC(=O)NCCCC[C@@H](CNC(=O)CCC(=O)O)NC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm00017a022 | ||
| CHEMBL114774 | 9864 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 742 | 17 | 7 | 6 | 5.8 | Cc1ccccc1NC(=O)NCCCC[C@@H](CNC(=O)CCC(=O)O)NC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm00017a022 | ||
| 44283246 | 99487 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 527 | 8 | 2 | 4 | 6.8 | O=C(NC(Cc1c[nH]c2ccccc12)C1CN=C(CCc2ccccc2)S1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL286442 | 99487 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 527 | 8 | 2 | 4 | 6.8 | O=C(NC(Cc1c[nH]c2ccccc12)C1CN=C(CCc2ccccc2)S1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 44329323 | 106846 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 574 | 7 | 3 | 3 | 6.9 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)Nc3ccccc3C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL317615 | 106846 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 574 | 7 | 3 | 3 | 6.9 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)Nc3ccccc3C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44381815 | 58683 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 838 | 21 | 7 | 9 | 4.0 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C\c1ccc(O)cc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80680-0 | ||
| CHEMBL169126 | 58683 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 838 | 21 | 7 | 9 | 4.0 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C\c1ccc(O)cc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80680-0 | ||
| 9962694 | 167660 | 3 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 853 | 21 | 8 | 9 | 3.3 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C/c1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL433640 | 167660 | 3 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 853 | 21 | 8 | 9 | 3.3 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C/c1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44280381 | 102458 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 511 | 9 | 3 | 4 | 3.6 | O=C(O)CCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| CHEMBL30634 | 102458 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 511 | 9 | 3 | 4 | 3.6 | O=C(O)CCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 | 10.1021/jm950372w | ||
| 11734332 | 78167 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 551 | 6 | 3 | 5 | 4.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(C3CCCCC3)C(=O)C[C@H]12 | 10.1021/jm010813d | ||
| CHEMBL2112233 | 78167 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 551 | 6 | 3 | 5 | 4.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(C3CCCCC3)C(=O)C[C@H]12 | 10.1021/jm010813d | ||
| 10047370 | 78392 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 413 | 4 | 3 | 4 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CN)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL2112754 | 78392 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 413 | 4 | 3 | 4 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CN)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44381513 | 168118 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1139 | 31 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL436690 | 168118 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1139 | 31 | 10 | 12 | 4.9 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 14843031 | 140749 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 393 | 5 | 1 | 3 | 5.2 | CCc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL38330 | 140749 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 393 | 5 | 1 | 3 | 5.2 | CCc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 10389643 | 118503 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 462 | 5 | 3 | 4 | 3.8 | O=C(O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL342614 | 118503 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 462 | 5 | 3 | 4 | 3.8 | O=C(O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 3476 | 1368 | 8 | None | -117 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm00120a002 | ||
| 59751 | 1368 | 8 | None | -117 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm00120a002 | ||
| 878 | 1368 | 8 | None | -117 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm00120a002 | ||
| CHEMBL39263 | 1368 | 8 | None | -117 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm00120a002 | ||
| 19754254 | 119831 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 321 | 2 | 2 | 2 | 4.6 | O=C(Nc1cc2c3ccccc3nc-2c[nH]1)c1ccc(Cl)cc1 | 10.1016/S0960-894X(00)80682-4 | ||
| CHEMBL353088 | 119831 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 321 | 2 | 2 | 2 | 4.6 | O=C(Nc1cc2c3ccccc3nc-2c[nH]1)c1ccc(Cl)cc1 | 10.1016/S0960-894X(00)80682-4 | ||
| 44396745 | 124505 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 623 | 8 | 2 | 6 | 5.5 | CN(C)c1ccc(N2C(=O)CC3[C@H](N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC4C5CC6CC(C5)CC4C6)CCCN3C2=O)cc1 | 10.1021/jm0498755 | ||
| CHEMBL364334 | 124505 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 623 | 8 | 2 | 6 | 5.5 | CN(C)c1ccc(N2C(=O)CC3[C@H](N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC4C5CC6CC(C5)CC4C6)CCCN3C2=O)cc1 | 10.1021/jm0498755 | ||
| 10817407 | 106634 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 601 | 7 | 1 | 6 | 5.6 | CC(C)N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 | 10.1021/jm970265x | ||
| CHEMBL316106 | 106634 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 601 | 7 | 1 | 6 | 5.6 | CC(C)N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 | 10.1021/jm970265x | ||
| 44280113 | 167656 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 684 | 12 | 4 | 5 | 5.5 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2c(c1)CCC2 | 10.1021/jm950372w | ||
| CHEMBL433623 | 167656 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 684 | 12 | 4 | 5 | 5.5 | O=C(O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2c(c1)CCC2 | 10.1021/jm950372w | ||
| 10575687 | 205500 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 453 | 4 | 3 | 5 | 5.2 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2Cl)c1 | 10.1021/jm970373j | ||
| CHEMBL9287 | 205500 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 453 | 4 | 3 | 5 | 5.2 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2Cl)c1 | 10.1021/jm970373j | ||
| 10074366 | 120074 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3349028 | 120074 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3545866 | 120074 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 44381479 | 59197 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 824 | 21 | 8 | 9 | 3.7 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](CCCCNC(=O)/C=C\c1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80680-0 | ||
| CHEMBL171593 | 59197 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 824 | 21 | 8 | 9 | 3.7 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](CCCCNC(=O)/C=C\c1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80680-0 | ||
| 10452527 | 140175 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 383 | 4 | 1 | 3 | 4.8 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(F)c1 | 10.1021/jm00108a040 | ||
| CHEMBL38176 | 140175 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 383 | 4 | 1 | 3 | 4.8 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(F)c1 | 10.1021/jm00108a040 | ||
| 90663974 | 106301 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 839 | 21 | 9 | 9 | 3.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144536 | 106301 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 839 | 21 | 9 | 9 | 3.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 14991584 | 161181 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 877 | 20 | 8 | 9 | 4.1 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)c1ccc2cc(O)ccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL413768 | 161181 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 877 | 20 | 8 | 9 | 4.1 | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)c1ccc2cc(O)ccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 14208280 | 67331 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 2.6 | CC(C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O | 10.1021/jm00120a002 | ||
| CHEMBL1907665 | 67331 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 2.6 | CC(C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O | 10.1021/jm00120a002 | ||
| 44458096 | 84611 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 388 | 5 | 2 | 3 | 2.7 | O=C(N[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H]1C(=O)O)c1ccc2ccccc2c1 | 10.1016/S0960-894X(00)80224-3 | ||
| CHEMBL22417 | 84611 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 388 | 5 | 2 | 3 | 2.7 | O=C(N[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H]1C(=O)O)c1ccc2ccccc2c1 | 10.1016/S0960-894X(00)80224-3 | ||
| CHEMBL172135 | 207097 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||||
| 10260206 | 166902 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 918 | 21 | 8 | 8 | 4.9 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL429932 | 166902 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 918 | 21 | 8 | 8 | 4.9 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| 15104595 | 9982 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 498 | 13 | 2 | 3 | 6.3 | CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| CHEMBL115456 | 9982 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 498 | 13 | 2 | 3 | 6.3 | CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| 15167799 | 118669 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 379 | 4 | 2 | 4 | 3.9 | O=C(NCC1CNc2ccccc2C(c2ccccc2F)=N1)c1ccsc1 | 10.1021/jm00163a069 | ||
| CHEMBL343158 | 118669 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 379 | 4 | 2 | 4 | 3.9 | O=C(NCC1CNc2ccccc2C(c2ccccc2F)=N1)c1ccsc1 | 10.1021/jm00163a069 | ||
| 10819755 | 164879 | 0 | None | - | 2 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 976 | 28 | 9 | 11 | 1.6 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL423907 | 164879 | 0 | None | - | 2 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 976 | 28 | 9 | 11 | 1.6 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 155551968 | 173435 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1793 | 69 | 16 | 20 | 4.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4542927 | 173435 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1793 | 69 | 16 | 20 | 4.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 73346731 | 81120 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL216079 | 81120 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1017 | 29 | 9 | 10 | 5.4 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CCCCc1ccccc1)CC(=O)O | 10.1021/jm00072a024 | ||
| CHEMBL432671 | 167521 | 0 | None | - | 1 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 784 | 15 | 7 | 12 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCNC(=O)CC(=O)NCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280714 | 99558 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 726 | 14 | 6 | 9 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL286908 | 99558 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 726 | 14 | 6 | 9 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL2370879 | 208186 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00105a068 | ||||
| CHEMBL3142924 | 209382 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | COc1ccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1021/jm960509y | ||||
| 14208293 | 67393 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 3 | 1 | 3 | 4.2 | CN1C(=O)[C@@H](NC(=O)c2cccc(Br)c2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907851 | 67393 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 3 | 1 | 3 | 4.2 | CN1C(=O)[C@@H](NC(=O)c2cccc(Br)c2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14444018 | 106181 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 649 | 16 | 6 | 6 | 3.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)NCCc1ccccc1 | 10.1021/jm00123a003 | ||
| CHEMBL3143387 | 106181 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 649 | 16 | 6 | 6 | 3.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)CC(=O)NCCc1ccccc1 | 10.1021/jm00123a003 | ||
| 90663982 | 106316 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 855 | 21 | 10 | 10 | 2.7 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144551 | 106316 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 855 | 21 | 10 | 10 | 2.7 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 14208251 | 77459 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)[C@H](NC(=O)c2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL2092870 | 77459 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 3.9 | CN1C(=O)[C@H](NC(=O)c2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44377488 | 57189 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 693 | 21 | 6 | 8 | 3.5 | CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1 | 10.1021/jm00388a002 | ||
| CHEMBL166089 | 57189 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 693 | 21 | 6 | 8 | 3.5 | CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1 | 10.1021/jm00388a002 | ||
| 10279334 | 124524 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 513 | 8 | 2 | 3 | 5.7 | CN(CCc1ccccc1)C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL36443 | 124524 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 513 | 8 | 2 | 3 | 5.7 | CN(CCc1ccccc1)C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 155535107 | 171438 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1904 | 73 | 19 | 22 | 4.7 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4471525 | 171438 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1904 | 73 | 19 | 22 | 4.7 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 14888719 | 76868 | 0 | None | - | 0 | Bovine | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1041 | 29 | 11 | 14 | -0.1 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| CHEMBL2079547 | 76868 | 0 | None | - | 0 | Bovine | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1041 | 29 | 11 | 14 | -0.1 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||
| 44280373 | 98916 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 773 | 16 | 4 | 8 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL282646 | 98916 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 773 | 16 | 4 | 8 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 10260012 | 109148 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 858 | 22 | 8 | 7 | 3.7 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| CHEMBL322391 | 109148 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 858 | 22 | 8 | 7 | 3.7 | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00028a015 | ||
| 10320031 | 77457 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| CHEMBL2092868 | 77457 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00121a004 | ||
| 44341613 | 9507 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 516 | 13 | 2 | 3 | 6.4 | CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| CHEMBL112622 | 9507 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 516 | 13 | 2 | 3 | 6.4 | CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| 10553481 | 162720 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 501 | 8 | 3 | 8 | 4.5 | CCOC(=O)c1ccccc1NC(=O)NNc1nc2ccccc2c(=O)n1-c1cccc(OC(C)C)c1 | 10.1021/jm970373j | ||
| CHEMBL418700 | 162720 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 501 | 8 | 3 | 8 | 4.5 | CCOC(=O)c1ccccc1NC(=O)NNc1nc2ccccc2c(=O)n1-c1cccc(OC(C)C)c1 | 10.1021/jm970373j | ||
| 73355866 | 204499 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 717 | 13 | 5 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)C(F)(F)F)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL86702 | 204499 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 717 | 13 | 5 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)C(F)(F)F)c1ccccc1 | 10.1021/jm00092a007 | ||
| 15673149 | 85551 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 717 | 13 | 5 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCNS(=O)(=O)C(F)(F)F)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| CHEMBL2304151 | 85551 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 717 | 13 | 5 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCNS(=O)(=O)C(F)(F)F)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| CHEMBL3142697 | 209377 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||||
| CHEMBL350222 | 209966 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)N(C)CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00031a013 | ||||
| 11801911 | 111014 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 613 | 8 | 1 | 5 | 6.4 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C2CCCC2)cc1 | 10.1021/jm970265x | ||
| CHEMBL327849 | 111014 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 613 | 8 | 1 | 5 | 6.4 | COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C2CCCC2)cc1 | 10.1021/jm970265x | ||
| 155532759 | 171179 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1431 | 50 | 12 | 15 | 5.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4467402 | 171179 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1431 | 50 | 12 | 15 | 5.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 16100410 | 141254 | 0 | None | -7079 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL386212 | 141254 | 0 | None | -7079 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| 44280315 | 101135 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 672 | 13 | 3 | 5 | 5.1 | CN(Cc1ccccc1)C(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL29891 | 101135 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 672 | 13 | 3 | 5 | 5.1 | CN(Cc1ccccc1)C(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 44359338 | 168090 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 489 | 6 | 3 | 3 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CC2CCC1C2 | 10.1021/jm970065l | ||
| CHEMBL436411 | 168090 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 489 | 6 | 3 | 3 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CC2CCC1C2 | 10.1021/jm970065l | ||
| 44349102 | 167755 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 434 | 7 | 3 | 3 | 4.3 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL434250 | 167755 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 434 | 7 | 3 | 3 | 4.3 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44377852 | 164728 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 692 | 21 | 7 | 7 | 3.1 | CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(=O)O)NC(=O)NCc1ccccc1 | 10.1021/jm00388a002 | ||
| CHEMBL423260 | 164728 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 692 | 21 | 7 | 7 | 3.1 | CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(=O)O)NC(=O)NCc1ccccc1 | 10.1021/jm00388a002 | ||
| 10252366 | 25665 | 11 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 434 | 3 | 2 | 3 | 4.8 | CN1C(=O)C(NC(=O)Nc2cccc3ccccc23)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL135364 | 25665 | 11 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 434 | 3 | 2 | 3 | 4.8 | CN1C(=O)C(NC(=O)Nc2cccc3ccccc23)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44329325 | 161240 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 594 | 7 | 3 | 3 | 7.2 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL414223 | 161240 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 594 | 7 | 3 | 3 | 7.2 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44280266 | 98309 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 729 | 14 | 4 | 7 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL278217 | 98309 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 729 | 14 | 4 | 7 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 10555363 | 96027 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 588 | 9 | 1 | 4 | 6.6 | CCC1(CC(=O)Nc2ccccc2)C(=O)N(CC(=O)N(c2ccccc2)C(C)C)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm960205b | ||
| CHEMBL262444 | 96027 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 588 | 9 | 1 | 4 | 6.6 | CCC1(CC(=O)Nc2ccccc2)C(=O)N(CC(=O)N(c2ccccc2)C(C)C)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm960205b | ||
| 44280508 | 99352 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 601 | 10 | 3 | 4 | 5.3 | CC(Cc1ccccc1)(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| CHEMBL285559 | 99352 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 601 | 10 | 3 | 4 | 5.3 | CC(Cc1ccccc1)(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)O | 10.1021/jm950372w | ||
| 10392653 | 118523 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 544 | 5 | 2 | 5 | 3.4 | CN1CCN(C(=O)CN2C(=O)C(NC(=O)Nc3ccc(Cl)cc3)N=C(c3ccccc3)c3ccccc32)CC1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL342640 | 118523 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 544 | 5 | 2 | 5 | 3.4 | CN1CCN(C(=O)CN2C(=O)C(NC(=O)Nc3ccc(Cl)cc3)N=C(c3ccccc3)c3ccccc32)CC1 | 10.1016/S0960-894X(00)80683-6 | ||
| 10720107 | 204946 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 497 | 6 | 3 | 6 | 5.3 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL8954 | 204946 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 497 | 6 | 3 | 6 | 5.3 | CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 10456021 | 205765 | 1 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 442 | 4 | 2 | 5 | 3.4 | COC(=O)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL9449 | 205765 | 1 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 442 | 4 | 2 | 5 | 3.4 | COC(=O)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970373j | ||
| 9868877 | 205922 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 8 | 2 | 4 | 3.8 | COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)Nc2cccc(C)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL9534 | 205922 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 8 | 2 | 4 | 3.8 | COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)Nc2cccc(C)c2)c1 | 10.1021/jm970373j | ||
| 135837528 | 119718 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 472 | 5 | 3 | 5 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3ncc[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| CHEMBL352217 | 119718 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 472 | 5 | 3 | 5 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3ncc[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1016/0960-894X(95)00557-A | ||
| 155556375 | 173922 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1409 | 38 | 15 | 21 | -2.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)n1cc([C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| CHEMBL4554965 | 173922 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1409 | 38 | 15 | 21 | -2.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)n1cc([C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.9b01936 | ||
| 10456021 | 205765 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 442 | 4 | 2 | 5 | 3.4 | COC(=O)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL9449 | 205765 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 442 | 4 | 2 | 5 | 3.4 | COC(=O)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00327-P | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00048a015 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00048a015 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00173a006 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00173a006 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00173a006 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00173a006 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00173a006 | ||||
| 44303527 | 96029 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 5.0 | CC(Cc1c[nH]c2ccc(F)cc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL262456 | 96029 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 5.0 | CC(Cc1c[nH]c2ccc(F)cc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(97)00356-9 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00032a002 | ||
| 5311201 | 205653 | 30 | None | -26 | 6 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL9387 | 205653 | 30 | None | -26 | 6 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL2386886 | 208643 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | C#CCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cn(CC(=O)NCCC(=O)NCCC(=O)NCCCC(CCCNC(=O)CCNC(=O)CCNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)(NC(=O)CNC(=O)CCNC(=O)CCNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)C(=O)NCCC(N)=O)nn1 | 10.1016/j.bmcl.2013.02.022 | ||||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00530-0 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(01)80987-2 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(01)80987-2 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9506736 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9506736 | ||
| 5311201 | 205653 | 30 | None | -26 | 6 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| CHEMBL9387 | 205653 | 30 | None | -26 | 6 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00234-K | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00234-K | ||
| 44376130 | 56028 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 | 10.1021/jm00032a003 | ||
| CHEMBL163049 | 56028 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 | 10.1021/jm00032a003 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9608523 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm9608523 | ||
| 145991539 | 166349 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 509 | 5 | 4 | 6 | 4.2 | O=C(O)c1cccc(NC(=S)NNc2nc3ccccc3c(=O)n2-c2cccc(Br)c2)c1 | 10.1039/C7MD00171A | ||
| CHEMBL4286509 | 166349 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 509 | 5 | 4 | 6 | 4.2 | O=C(O)c1cccc(NC(=S)NNc2nc3ccccc3c(=O)n2-c2cccc(Br)c2)c1 | 10.1039/C7MD00171A | ||
| 44330874 | 206611 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 974 | 28 | 10 | 11 | 2.1 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N/C(=C\c1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| CHEMBL99499 | 206611 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 974 | 28 | 10 | 11 | 2.1 | CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N/C(=C\c1ccccc1)C(N)=O | 10.1021/jm00094a001 | ||
| 14802508 | 78366 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 12 | 4 | 6 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(OC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| CHEMBL2112695 | 78366 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 12 | 4 | 6 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(OC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00105a062 | ||
| 10325557 | 46230 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 563 | 9 | 4 | 4 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2Cl)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL153760 | 46230 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 563 | 9 | 4 | 4 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2Cl)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 73355867 | 204527 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 680 | 12 | 5 | 6 | 6.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1ccccc1O)c1ccccc1 | 10.1021/jm00092a007 | ||
| CHEMBL86879 | 204527 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 680 | 12 | 5 | 6 | 6.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1ccccc1O)c1ccccc1 | 10.1021/jm00092a007 | ||
| 10102593 | 140961 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1048 | 29 | 10 | 12 | 3.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| CHEMBL384505 | 140961 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1048 | 29 | 10 | 12 | 3.3 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80679-4 | ||
| 44329304 | 107619 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 526 | 7 | 3 | 3 | 5.5 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL319569 | 107619 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 526 | 7 | 3 | 3 | 5.5 | Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC(C)C)C2=O)c1 | 10.1016/S0960-894X(01)80832-5 | ||
| 44279861 | 102696 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 726 | 14 | 6 | 9 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30821 | 102696 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 726 | 14 | 6 | 9 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44327455 | 106848 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 585 | 12 | 3 | 4 | 6.0 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCCC(=O)O)CCc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL317626 | 106848 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 585 | 12 | 3 | 4 | 6.0 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCCC(=O)O)CCc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL34916 | 209960 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCS[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00001a019 | ||||
| 44349070 | 163928 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 421 | 7 | 3 | 4 | 3.0 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL421438 | 163928 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 421 | 7 | 3 | 4 | 3.0 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 14208241 | 67394 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907852 | 67394 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14208269 | 77458 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@@H](NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL2092869 | 77458 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 4.0 | CN1C(=O)[C@@H](NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 44349064 | 16328 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 435 | 7 | 3 | 4 | 3.4 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL123684 | 16328 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 435 | 7 | 3 | 4 | 3.4 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44348870 | 114317 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 452 | 7 | 3 | 5 | 3.3 | O=C(O)CCC(NC(=O)c1cnc2ccccc2c1)C(=O)NN1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL334171 | 114317 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 452 | 7 | 3 | 5 | 3.3 | O=C(O)CCC(NC(=O)c1cnc2ccccc2c1)C(=O)NN1CCC2(CCCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44349336 | 163951 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL421474 | 163951 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.6 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NN1CCC2(CCCC2)CC1 | 10.1021/jm00079a003 | ||
| 44280200 | 100344 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 785 | 18 | 4 | 7 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL29331 | 100344 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 785 | 18 | 4 | 7 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 5279366 | 103671 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 401 | 4 | 2 | 4 | 4.0 | CSc1ccc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL309575 | 103671 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 401 | 4 | 2 | 4 | 4.0 | CSc1ccc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 | 10.1021/jm00120a002 | ||
| 15104601 | 169850 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 486 | 13 | 3 | 2 | 6.2 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00116a002 | ||
| CHEMBL444847 | 169850 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 486 | 13 | 3 | 2 | 6.2 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm00116a002 | ||
| 44349073 | 16365 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 395 | 7 | 3 | 4 | 2.5 | CC1(C)CCN(NC(=O)C(CCC(=O)O)NC(=O)c2cccc(Cl)c2)CC1 | 10.1021/jm00079a003 | ||
| CHEMBL123785 | 16365 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 395 | 7 | 3 | 4 | 2.5 | CC1(C)CCN(NC(=O)C(CCC(=O)O)NC(=O)c2cccc(Cl)c2)CC1 | 10.1021/jm00079a003 | ||
| 14208261 | 103199 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 397 | 5 | 2 | 3 | 4.2 | CCCc1ccc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL308756 | 103199 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 397 | 5 | 2 | 3 | 4.2 | CCCc1ccc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 | 10.1021/jm00120a002 | ||
| 44379640 | 57267 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 522 | 6 | 2 | 5 | 5.8 | CC(C)Oc1cccc(-n2c(C/N=C(\S)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| CHEMBL166737 | 57267 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 522 | 6 | 2 | 5 | 5.8 | CC(C)Oc1cccc(-n2c(C/N=C(\S)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| 4355450 | 135391 | 43 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37312 | 135391 | 43 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 10070677 | 161163 | 13 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL41361 | 161163 | 13 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44382244 | 58868 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 618 | 11 | 4 | 4 | 6.4 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)Nc1ccccc1 | 10.1016/S0960-894X(00)80687-3 | ||
| CHEMBL170129 | 58868 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 618 | 11 | 4 | 4 | 6.4 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)Nc1ccccc1 | 10.1016/S0960-894X(00)80687-3 | ||
| 44334338 | 108413 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 547 | 9 | 2 | 5 | 4.2 | Cc1cccc(NC(=O)N[C@H](CS(=O)(=O)Cc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL321107 | 108413 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 547 | 9 | 2 | 5 | 4.2 | Cc1cccc(NC(=O)N[C@H](CS(=O)(=O)Cc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 44349383 | 16573 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 480 | 9 | 3 | 3 | 4.7 | O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00079a003 | ||
| CHEMBL124396 | 16573 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 480 | 9 | 3 | 3 | 4.7 | O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00079a003 | ||
| 44348869 | 16215 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 407 | 7 | 3 | 4 | 2.6 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCC2)C1 | 10.1021/jm00079a003 | ||
| CHEMBL123089 | 16215 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 407 | 7 | 3 | 4 | 2.6 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCC2)C1 | 10.1021/jm00079a003 | ||
| 44377487 | 119643 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 691 | 22 | 6 | 7 | 3.3 | CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(=O)O)NC(=O)CCc1ccccc1 | 10.1021/jm00388a002 | ||
| CHEMBL351531 | 119643 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 691 | 22 | 6 | 7 | 3.3 | CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(=O)O)NC(=O)CCc1ccccc1 | 10.1021/jm00388a002 | ||
| 10074366 | 120074 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3349028 | 120074 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3545866 | 120074 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 44386584 | 165799 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 573 | 8 | 4 | 5 | 3.2 | CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)[C@](Cc3ccccc3)(C(N)=O)C[C@H]12 | 10.1016/0960-894X(96)00160-6 | ||
| CHEMBL427492 | 165799 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 573 | 8 | 4 | 5 | 3.2 | CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)[C@](Cc3ccccc3)(C(N)=O)C[C@H]12 | 10.1016/0960-894X(96)00160-6 | ||
| 136794946 | 106117 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 857 | 21 | 9 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm960509y | ||
| 15689731 | 106117 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 857 | 21 | 9 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm960509y | ||
| CHEMBL3142903 | 106117 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 857 | 21 | 9 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm960509y | ||
| CHEMBL355778 | 209983 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](CCc2ccccc2)NC(=O)[C@@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||||
| 14208247 | 202935 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 465 | 5 | 2 | 4 | 3.5 | O=C(O)CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL73621 | 202935 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 465 | 5 | 2 | 4 | 3.5 | O=C(O)CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14208245 | 203041 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 389 | 3 | 2 | 3 | 3.9 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(Cl)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL74580 | 203041 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 389 | 3 | 2 | 3 | 3.9 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(Cl)cc1 | 10.1021/jm00120a002 | ||
| 44382243 | 59195 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 632 | 12 | 4 | 4 | 6.1 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCc1ccccc1 | 10.1016/S0960-894X(00)80687-3 | ||
| CHEMBL171562 | 59195 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 632 | 12 | 4 | 4 | 6.1 | O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCc1ccccc1 | 10.1016/S0960-894X(00)80687-3 | ||
| 14843033 | 136419 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 433 | 4 | 1 | 3 | 5.7 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(C(F)(F)F)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37439 | 136419 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 433 | 4 | 1 | 3 | 5.7 | O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(C(F)(F)F)c1 | 10.1021/jm00108a040 | ||
| CHEMBL286843 | 99547 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 541 | 8 | 3 | 4 | 7.2 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C1NC=C(CCc2ccccc2)S1 | 10.1021/jm00086a017 | ||
| 10673570 | 29927 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 521 | 7 | 4 | 4 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(C(=O)O)CCCCC1 | 10.1021/jm970065l | ||
| CHEMBL139001 | 29927 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 521 | 7 | 4 | 4 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(C(=O)O)CCCCC1 | 10.1021/jm970065l | ||
| 14991575 | 100304 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 852 | 20 | 10 | 9 | 3.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cc2cc(O)ccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL293026 | 100304 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 852 | 20 | 10 | 9 | 3.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cc2cc(O)ccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44349082 | 17578 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 446 | 9 | 3 | 3 | 4.0 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00079a003 | ||
| CHEMBL125874 | 17578 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 446 | 9 | 3 | 3 | 4.0 | O=C(O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00079a003 | ||
| 10698109 | 106799 | 0 | None | -5 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 560 | 8 | 1 | 4 | 5.8 | CC(C)N(C(=O)CN1C(=O)C(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960205b | ||
| CHEMBL317181 | 106799 | 0 | None | -5 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 560 | 8 | 1 | 4 | 5.8 | CC(C)N(C(=O)CN1C(=O)C(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960205b | ||
| 10698109 | 106799 | 0 | None | -5 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 560 | 8 | 1 | 4 | 5.8 | CC(C)N(C(=O)CN1C(=O)C(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/acs.jmedchem.0c00829 | ||
| CHEMBL317181 | 106799 | 0 | None | -5 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 560 | 8 | 1 | 4 | 5.8 | CC(C)N(C(=O)CN1C(=O)C(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/acs.jmedchem.0c00829 | ||
| 10031013 | 204748 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 574 | 8 | 1 | 4 | 6.2 | CC(C)N(C(=O)CN1C(=O)C(C)(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960249k | ||
| CHEMBL88239 | 204748 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 574 | 8 | 1 | 4 | 6.2 | CC(C)N(C(=O)CN1C(=O)C(C)(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960249k | ||
| 10031013 | 204748 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 574 | 8 | 1 | 4 | 6.2 | CC(C)N(C(=O)CN1C(=O)C(C)(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960205b | ||
| CHEMBL88239 | 204748 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 574 | 8 | 1 | 4 | 6.2 | CC(C)N(C(=O)CN1C(=O)C(C)(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960205b | ||
| 155530671 | 170986 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1627 | 65 | 14 | 19 | 4.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4464703 | 170986 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1627 | 65 | 14 | 19 | 4.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 10031013 | 204748 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 574 | 8 | 1 | 4 | 6.2 | CC(C)N(C(=O)CN1C(=O)C(C)(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/acs.jmedchem.0c00829 | ||
| CHEMBL88239 | 204748 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 574 | 8 | 1 | 4 | 6.2 | CC(C)N(C(=O)CN1C(=O)C(C)(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/acs.jmedchem.0c00829 | ||
| 14991580 | 100228 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 829 | 21 | 8 | 9 | 3.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C/c1cccs1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL292490 | 100228 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 829 | 21 | 8 | 9 | 3.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C/c1cccs1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44280598 | 100014 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| CHEMBL291001 | 100014 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 694 | 12 | 4 | 5 | 6.2 | O=C(O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 | 10.1021/jm950372w | ||
| 15689725 | 106107 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 880 | 20 | 9 | 8 | 4.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142704 | 106107 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 880 | 20 | 9 | 8 | 4.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 44366587 | 43430 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 554 | 10 | 0 | 8 | 7.2 | CCOP(=O)(OCC)OC1=CCN(Cc2ccccc2)CC1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 | 10.1016/0960-894X(94)80030-8 | ||
| CHEMBL151022 | 43430 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 554 | 10 | 0 | 8 | 7.2 | CCOP(=O)(OCC)OC1=CCN(Cc2ccccc2)CC1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 | 10.1016/0960-894X(94)80030-8 | ||
| 10165354 | 21931 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.7 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(CO)Cc1ccccc1 | 10.1016/S0960-894X(00)80156-0 | ||
| CHEMBL132233 | 21931 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.7 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(CO)Cc1ccccc1 | 10.1016/S0960-894X(00)80156-0 | ||
| 11741582 | 27738 | 6 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 398 | 4 | 2 | 3 | 3.3 | CN1C(=O)C(NC(=O)NCc2ccccc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL137213 | 27738 | 6 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 398 | 4 | 2 | 3 | 3.3 | CN1C(=O)C(NC(=O)NCc2ccccc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44370461 | 119048 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 488 | 15 | 2 | 4 | 4.8 | CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)N1CCCC1)NC(=O)Nc1cccc(OC)c1 | 10.1021/jm00164a020 | ||
| CHEMBL346070 | 119048 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 488 | 15 | 2 | 4 | 4.8 | CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)N1CCCC1)NC(=O)Nc1cccc(OC)c1 | 10.1021/jm00164a020 | ||
| 19766170 | 58830 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 383 | 5 | 3 | 4 | 2.2 | COc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)O)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL169931 | 58830 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 383 | 5 | 3 | 4 | 2.2 | COc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)O)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 44381609 | 128577 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 15 | 6 | 7 | 2.5 | N#C[C@H](N[C@H](CC(=O)NC(Cc1ccccc1)C(N)=O)C(=O)O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 | 10.1016/S0960-894X(97)00107-8 | ||
| CHEMBL367057 | 128577 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 15 | 6 | 7 | 2.5 | N#C[C@H](N[C@H](CC(=O)NC(Cc1ccccc1)C(N)=O)C(=O)O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 | 10.1016/S0960-894X(97)00107-8 | ||
| 14991578 | 161154 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 824 | 21 | 8 | 9 | 2.7 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C/c1cccnc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL413548 | 161154 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 824 | 21 | 8 | 9 | 2.7 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C/c1cccnc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44329343 | 111825 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 556 | 7 | 3 | 4 | 5.6 | COc1ccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)cc1 | 10.1016/S0960-894X(01)80832-5 | ||
| CHEMBL329286 | 111825 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 556 | 7 | 3 | 4 | 5.6 | COc1ccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3C)C[C@H](c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)cc1 | 10.1016/S0960-894X(01)80832-5 | ||
| 155537344 | 171742 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1848 | 72 | 16 | 22 | 3.6 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| CHEMBL4475304 | 171742 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1848 | 72 | 16 | 22 | 3.6 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01558 | ||
| 44303481 | 100219 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 524 | 9 | 3 | 6 | 4.3 | CC(=O)Nc1nc(CC(C)(NC(=O)OC2C3CC4CC(C3)CC2C4)C(=O)NCCc2ccccc2)cs1 | 10.1016/S0960-894X(97)00356-9 | ||
| CHEMBL292422 | 100219 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 524 | 9 | 3 | 6 | 4.3 | CC(=O)Nc1nc(CC(C)(NC(=O)OC2C3CC4CC(C3)CC2C4)C(=O)NCCc2ccccc2)cs1 | 10.1016/S0960-894X(97)00356-9 | ||
| 44382057 | 119816 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 420 | 4 | 2 | 3 | 3.1 | Cc1cccc(NC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| CHEMBL352939 | 119816 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 420 | 4 | 2 | 3 | 3.1 | Cc1cccc(NC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1016/S0960-894X(00)80683-6 | ||
| 44379911 | 58550 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 442 | 6 | 2 | 5 | 4.8 | Cc1cccc(NC(=O)NCc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 | 10.1016/S0960-894X(97)00108-X | ||
| CHEMBL168875 | 58550 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 442 | 6 | 2 | 5 | 4.8 | Cc1cccc(NC(=O)NCc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 | 10.1016/S0960-894X(97)00108-X | ||
| 10553207 | 206521 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 492 | 6 | 2 | 6 | 4.7 | CC(C)Oc1cccc(-n2c(NNC(=O)c3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL9888 | 206521 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 492 | 6 | 2 | 6 | 4.7 | CC(C)Oc1cccc(-n2c(NNC(=O)c3ccc(Br)cc3)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL2112689 | 207495 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)c1c[nH]c2ccccc12 | 10.1021/jm960078j | ||||
| 14843047 | 118983 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 487 | 6 | 1 | 4 | 5.8 | CCOc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| CHEMBL34547 | 118983 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 487 | 6 | 1 | 4 | 5.8 | CCOc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 | 10.1021/jm00108a040 | ||
| 44333312 | 4488 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 406 | 2 | 3 | 5 | 1.8 | Cc1cccc(NC(=O)NC2N=C(N3CCNCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL102537 | 4488 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 406 | 2 | 3 | 5 | 1.8 | Cc1cccc(NC(=O)NC2N=C(N3CCNCC3)c3ccccc3N(C)C2=O)c1 | 10.1016/0960-894X(95)00530-0 | ||
| 44152863 | 119844 | 4 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 475 | 3 | 2 | 2 | 5.9 | O=C1NN(C(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C(c2ccccc2)C1c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| CHEMBL353189 | 119844 | 4 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 475 | 3 | 2 | 2 | 5.9 | O=C1NN(C(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C(c2ccccc2)C1c1ccccc1 | 10.1016/S0960-894X(00)80684-8 | ||
| 15673150 | 85553 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 681 | 12 | 5 | 5 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCNC(=O)C(F)(F)F)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| CHEMBL2304154 | 85553 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 681 | 12 | 5 | 5 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCNC(=O)C(F)(F)F)c1ccccc1 | 10.1016/S0960-894X(00)80652-6 | ||
| 44382749 | 59382 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 532 | 11 | 4 | 4 | 3.0 | CC(C)C[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||
| CHEMBL172354 | 59382 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 532 | 11 | 4 | 4 | 3.0 | CC(C)C[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||
| 10580108 | 5027 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 650 | 10 | 1 | 4 | 7.4 | CC(C)N(C(=O)CN1C(=O)C(CC(=O)Nc2ccccc2)(Cc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960205b | ||
| CHEMBL105619 | 5027 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 650 | 10 | 1 | 4 | 7.4 | CC(C)N(C(=O)CN1C(=O)C(CC(=O)Nc2ccccc2)(Cc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1021/jm960205b | ||
| 44300888 | 100311 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 6 | 4 | 6 | 4.5 | Cc1ccc([C@H]2C[C@@H](NC(=O)Nc3cccc(-c4nn[nH]n4)c3)C(=O)N(CC(=O)NC(C)(C)C)c3cc(C)ccc32)cc1 | 10.1016/0960-894X(95)00327-P | ||
| CHEMBL293107 | 100311 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 6 | 4 | 6 | 4.5 | Cc1ccc([C@H]2C[C@@H](NC(=O)Nc3cccc(-c4nn[nH]n4)c3)C(=O)N(CC(=O)NC(C)(C)C)c3cc(C)ccc32)cc1 | 10.1016/0960-894X(95)00327-P | ||
| 73349872 | 88757 | 1 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 616 | 12 | 5 | 5 | 5.2 | CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1016/0960-894X(96)00160-6 | ||
| CHEMBL2367718 | 88757 | 1 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 616 | 12 | 5 | 5 | 5.2 | CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1016/0960-894X(96)00160-6 | ||
| CHEMBL2367719 | 88757 | 1 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 616 | 12 | 5 | 5 | 5.2 | CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1016/0960-894X(96)00160-6 | ||
| 44348637 | 163947 | 0 | None | - | 0 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 966 | 27 | 11 | 11 | 1.0 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| CHEMBL421471 | 163947 | 0 | None | - | 0 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 966 | 27 | 11 | 11 | 1.0 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00099a005 | ||
| 44281204 | 99375 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 871 | 18 | 4 | 10 | 5.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL285719 | 99375 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 871 | 18 | 4 | 10 | 5.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44265968 | 205051 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4cc(Br)ccc34)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| CHEMBL9026 | 205051 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4cc(Br)ccc34)nc3ccccc3c2=O)c1 | 10.1021/jm970373j | ||
| 4355450 | 135391 | 43 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00092a003 | ||
| CHEMBL37312 | 135391 | 43 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00092a003 | ||
| 5311347 | 106859 | 3 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL317675 | 106859 | 3 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(01)80769-1 | ||
| 4355450 | 135391 | 43 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| CHEMBL37312 | 135391 | 43 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1016/S0960-894X(97)00108-X | ||
| 4355450 | 135391 | 43 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| CHEMBL37312 | 135391 | 43 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 501 | 6 | 1 | 4 | 6.2 | CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | 10.1021/jm00108a040 | ||
| 5311347 | 32792 | 3 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| CHEMBL141630 | 32792 | 3 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1 | 10.1016/S0960-894X(00)80685-X | ||
| 5311347 | 106859 | 3 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL317675 | 106859 | 3 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 10074366 | 120074 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3349028 | 120074 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| CHEMBL3545866 | 120074 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00057a005 | ||
| 5311347 | 32792 | 3 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm970065l | ||
| CHEMBL141630 | 32792 | 3 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm970065l | ||
| 9823890 | 26713 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 428 | 4 | 3 | 4 | 3.3 | CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL136412 | 26713 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 428 | 4 | 3 | 4 | 3.3 | CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 10412837 | 27401 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 479 | 5 | 3 | 5 | 4.0 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(Cc3n[nH]c(C)n3)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL136975 | 27401 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 479 | 5 | 3 | 5 | 4.0 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(Cc3n[nH]c(C)n3)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44357031 | 28471 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 585 | 8 | 2 | 9 | 3.1 | COC(=O)[C@H]1CCCN1OC(=O)CN1C(=O)C(NC(=O)Nc2cccc(OC)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL137779 | 28471 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 585 | 8 | 2 | 9 | 3.1 | COC(=O)[C@H]1CCCN1OC(=O)CN1C(=O)C(NC(=O)Nc2cccc(OC)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 145980742 | 165967 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 465 | 6 | 3 | 6 | 4.8 | CCOc1ccc(NC(=S)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 | 10.1039/C7MD00171A | ||
| CHEMBL4279247 | 165967 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 465 | 6 | 3 | 6 | 4.8 | CCOc1ccc(NC(=S)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 | 10.1039/C7MD00171A | ||
| 21467078 | 4344 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 448 | 4 | 2 | 5 | 2.9 | CCCN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| CHEMBL101528 | 4344 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 448 | 4 | 2 | 5 | 2.9 | CCCN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/0960-894X(95)00530-0 | ||
| 73349872 | 88757 | 1 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 616 | 12 | 5 | 5 | 5.2 | CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1021/jm0498755 | ||
| CHEMBL2367718 | 88757 | 1 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 616 | 12 | 5 | 5 | 5.2 | CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1021/jm0498755 | ||
| CHEMBL2367719 | 88757 | 1 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 616 | 12 | 5 | 5 | 5.2 | CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1021/jm0498755 | ||
| 10070679 | 27545 | 11 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)C(NC(=O)Nc2cccc(Cl)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| CHEMBL137066 | 27545 | 11 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 418 | 3 | 2 | 3 | 4.3 | CN1C(=O)C(NC(=O)Nc2cccc(Cl)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm00078a018 | ||
| 44377486 | 167694 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 678 | 16 | 7 | 7 | 2.5 | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)NC(=O)C(Cc1ccccc1)C(N)=O | 10.1021/jm00388a002 | ||
| CHEMBL433901 | 167694 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 678 | 16 | 7 | 7 | 2.5 | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)NC(=O)C(Cc1ccccc1)C(N)=O | 10.1021/jm00388a002 | ||
| 44327698 | 205730 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 572 | 10 | 2 | 6 | 4.7 | COC(=O)CN(CCc1ccccn1)C(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1016/S0960-894X(01)80769-1 | ||
| CHEMBL94298 | 205730 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 572 | 10 | 2 | 6 | 4.7 | COC(=O)CN(CCc1ccccn1)C(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1016/S0960-894X(01)80769-1 | ||
| 44349413 | 112595 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.0 | CCC(CC)(CC)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| CHEMBL331413 | 112595 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.0 | CCC(CC)(CC)CCNC(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1 | 10.1021/jm00079a003 | ||
| 44334337 | 4592 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 541 | 10 | 2 | 5 | 5.1 | Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL103276 | 4592 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 541 | 10 | 2 | 5 | 5.1 | Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 | 10.1016/0960-894X(95)00537-3 | ||
| 14208302 | 67388 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 3.3 | CN1C(=O)[C@@H](NC(=O)c2ccc(C#N)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL1907847 | 67388 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 3.3 | CN1C(=O)[C@@H](NC(=O)c2ccc(C#N)cc2)N=C(c2ccccc2F)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14994682 | 204330 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 6 | 1 | 4 | 6.0 | CC(C)Oc1cccc(-n2c(C(C)Cc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00092a003 | ||
| CHEMBL85393 | 204330 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 6 | 1 | 4 | 6.0 | CC(C)Oc1cccc(-n2c(C(C)Cc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 | 10.1021/jm00092a003 | ||
| 44333997 | 108259 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 588 | 10 | 3 | 5 | 5.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)c2ccccc2)CC1 | 10.1016/0960-894X(95)00537-3 | ||
| CHEMBL320886 | 108259 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 588 | 10 | 3 | 5 | 5.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)c2ccccc2)CC1 | 10.1016/0960-894X(95)00537-3 | ||
| 10644845 | 96532 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 4 | 3 | 5 | 4.0 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(F)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL266523 | 96532 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 4 | 3 | 5 | 4.0 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(F)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL2079550 | 207439 | 0 | None | - | 0 | Bovine | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(C(F)(F)C(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00107a037 | ||||
| 10046475 | 114995 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 399 | 3 | 2 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(c3cccnc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| CHEMBL335241 | 114995 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 399 | 3 | 2 | 4 | 3.4 | Cc1cccc(NC(=O)NC2N=C(c3cccnc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00078a018 | ||
| 44279809 | 98497 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 785 | 18 | 4 | 7 | 6.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL279778 | 98497 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 785 | 18 | 4 | 7 | 6.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44381820 | 120099 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 689 | 18 | 7 | 8 | 2.8 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](C#N)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(97)00107-8 | ||
| CHEMBL354631 | 120099 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 689 | 18 | 7 | 8 | 2.8 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](C#N)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(97)00107-8 | ||
| 15104628 | 9895 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 534 | 10 | 2 | 5 | 4.6 | CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| CHEMBL114926 | 9895 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 534 | 10 | 2 | 5 | 4.6 | CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1 | 10.1021/jm00116a002 | ||
| 15104621 | 110857 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 476 | 13 | 3 | 2 | 6.4 | CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(C)cc1 | 10.1021/jm00116a002 | ||
| CHEMBL326975 | 110857 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 476 | 13 | 3 | 2 | 6.4 | CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(C)cc1 | 10.1021/jm00116a002 | ||
| CHEMBL282175 | 98850 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 769 | 16 | 6 | 11 | 4.6 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCSCc3csc(C=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 44408483 | 168352 | 0 | None | -275 | 4 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1212 | 31 | 12 | 15 | 3.7 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL438739 | 168352 | 0 | None | -275 | 4 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1212 | 31 | 12 | 15 | 3.7 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| 44408484 | 136970 | 0 | None | -18197 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1033 | 30 | 13 | 12 | 1.4 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL375412 | 136970 | 0 | None | -18197 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1033 | 30 | 13 | 12 | 1.4 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| 44418924 | 156328 | 0 | None | -18620 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL407198 | 156328 | 0 | None | -18620 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| 11714636 | 140694 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 717 | 10 | 6 | 6 | 3.7 | CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1C[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)N2C1=O | 10.1021/jm050689o | ||
| CHEMBL382952 | 140694 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 717 | 10 | 6 | 6 | 3.7 | CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1C[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)N2C1=O | 10.1021/jm050689o | ||
| 44381851 | 119859 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 723 | 20 | 7 | 8 | 3.2 | CCCC[C@H](N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)O | 10.1016/S0960-894X(97)00107-8 | ||
| CHEMBL353305 | 119859 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 723 | 20 | 7 | 8 | 3.2 | CCCC[C@H](N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)O | 10.1016/S0960-894X(97)00107-8 | ||
| 44281078 | 99269 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 773 | 16 | 4 | 8 | 5.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL284975 | 99269 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 773 | 16 | 4 | 8 | 5.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL172635 | 207101 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2ccccc2)NC(=O)[C@@H]1CC(=O)O | 10.1016/S0960-894X(01)80253-5 | ||||
| 14208258 | 102470 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 373 | 3 | 2 | 3 | 3.4 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(F)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL306394 | 102470 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 373 | 3 | 2 | 3 | 3.4 | O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(F)cc1 | 10.1021/jm00120a002 | ||
| 613843 | 202863 | 28 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 250 | 1 | 0 | 2 | 2.5 | CN1C(=O)CN=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| CHEMBL73096 | 202863 | 28 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 250 | 1 | 0 | 2 | 2.5 | CN1C(=O)CN=C(c2ccccc2)c2ccccc21 | 10.1021/jm00120a002 | ||
| 14208248 | 202925 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 441 | 3 | 2 | 3 | 4.4 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccc(C(F)(F)F)cc1 | 10.1021/jm00120a002 | ||
| CHEMBL73561 | 202925 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 441 | 3 | 2 | 3 | 4.4 | O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccc(C(F)(F)F)cc1 | 10.1021/jm00120a002 | ||
| 44381819 | 58292 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 723 | 20 | 7 | 8 | 3.2 | CCCC[C@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(97)00107-8 | ||
| CHEMBL168435 | 58292 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 723 | 20 | 7 | 8 | 3.2 | CCCC[C@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(97)00107-8 | ||
| 44349164 | 18344 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 320 | 10 | 3 | 3 | 2.0 | CCCCCNC(=O)C(CCC(=O)O)NC(=O)c1ccccc1 | 10.1021/jm00079a003 | ||
| CHEMBL127551 | 18344 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 320 | 10 | 3 | 3 | 2.0 | CCCCCNC(=O)C(CCC(=O)O)NC(=O)c1ccccc1 | 10.1021/jm00079a003 | ||
| 10742340 | 205925 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 453 | 4 | 3 | 5 | 5.2 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)c1 | 10.1021/jm970373j | ||
| CHEMBL9535 | 205925 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 453 | 4 | 3 | 5 | 5.2 | Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)c1 | 10.1021/jm970373j | ||
| 90663975 | 106302 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 839 | 21 | 9 | 9 | 3.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1cccc(O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144537 | 106302 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 839 | 21 | 9 | 9 | 3.0 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C\c1cccc(O)c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 15104607 | 162849 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 497 | 13 | 2 | 2 | 6.9 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2ccccc12 | 10.1021/jm00116a002 | ||
| CHEMBL419585 | 162849 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 497 | 13 | 2 | 2 | 6.9 | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2ccccc12 | 10.1021/jm00116a002 | ||
| 145987307 | 166537 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 431 | 5 | 4 | 6 | 3.4 | O=C(O)c1cccc(NC(=S)NNc2nc3ccccc3c(=O)n2-c2ccccc2)c1 | 10.1039/C7MD00171A | ||
| CHEMBL4289939 | 166537 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 431 | 5 | 4 | 6 | 3.4 | O=C(O)c1cccc(NC(=S)NNc2nc3ccccc3c(=O)n2-c2ccccc2)c1 | 10.1039/C7MD00171A | ||
| 15177358 52940604 | 16338 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 667 | 9 | 4 | 4 | 7.1 | ClC(Cl)(Cl)Cl.O=C(NC(Cc1c[nH]c2ccccc12)NC(=O)C(CO)Cc1ccccc1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| CHEMBL1237153 | 16338 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 667 | 9 | 4 | 4 | 7.1 | ClC(Cl)(Cl)Cl.O=C(NC(Cc1c[nH]c2ccccc12)NC(=O)C(CO)Cc1ccccc1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00086a017 | ||
| 44386048 | 61173 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 541 | 9 | 4 | 4 | 5.3 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(00)80273-5 | ||
| CHEMBL177081 | 61173 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 541 | 9 | 4 | 4 | 5.3 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/S0960-894X(00)80273-5 | ||
| 136794946 | 106117 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 857 | 21 | 9 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 15689731 | 106117 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 857 | 21 | 9 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| CHEMBL3142903 | 106117 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 857 | 21 | 9 | 10 | 3.2 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00113a023 | ||
| 14991541 | 106312 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 843 | 22 | 8 | 8 | 3.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| CHEMBL3144546 | 106312 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 843 | 22 | 8 | 8 | 3.3 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00089a010 | ||
| 44382456 | 119942 | 0 | None | 1 | 3 | Human | 10.0 | pKd | = | 10.0 | Binding | ChEMBL | 572 | 10 | 5 | 5 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)cc1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL354049 | 119942 | 0 | None | 1 | 3 | Human | 10.0 | pKd | = | 10.0 | Binding | ChEMBL | 572 | 10 | 5 | 5 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)cc1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL83942 | 119942 | 0 | None | 1 | 3 | Human | 10.0 | pKd | = | 10.0 | Binding | ChEMBL | 572 | 10 | 5 | 5 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)cc1 | 10.1016/0960-894X(95)00435-V | ||
| 44318341 | 204271 | 0 | None | 1 | 3 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 698 | 10 | 5 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL1628582 | 204271 | 0 | None | 1 | 3 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 698 | 10 | 5 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL84864 | 204271 | 0 | None | 1 | 3 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 698 | 10 | 5 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL413654 | 211321 | 0 | None | 2 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm00048a016 | ||||
| 10075052 | 189072 | 0 | None | -10 | 2 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 510 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm801439x | ||
| CHEMBL515268 | 189072 | 0 | None | -10 | 2 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 510 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm801439x | ||
| CHEMBL515288 | 189072 | 0 | None | -10 | 2 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 510 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm801439x | ||
| CHEMBL120632 | 206853 | 30 | None | 5 | 3 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01320 | ||||
| 145978895 | 165901 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1063 | 32 | 12 | 10 | 0.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)C[Se]c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4278080 | 165901 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1063 | 32 | 12 | 10 | 0.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)C[Se]c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL413654 | 211321 | 0 | None | -2 | 2 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm00048a016 | ||||
| 145991328 | 166343 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1086 | 34 | 13 | 11 | 0.1 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC[Se]C)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4286411 | 166343 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1086 | 34 | 13 | 11 | 0.1 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC[Se]C)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| 44461961 | 105117 | 0 | None | -9 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 724 | 11 | 4 | 5 | 6.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N=[N+]=[N-])c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL2079605 | 105117 | 0 | None | -9 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 724 | 11 | 4 | 5 | 6.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N=[N+]=[N-])c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL312252 | 105117 | 0 | None | -9 | 3 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 724 | 11 | 4 | 5 | 6.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N=[N+]=[N-])c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| 25193919 | 188461 | 0 | None | - | 1 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 786 | 22 | 6 | 10 | 1.7 | CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm800174p | ||
| CHEMBL509524 | 188461 | 0 | None | - | 1 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 786 | 22 | 6 | 10 | 1.7 | CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm800174p | ||
| 44580932 | 172888 | 0 | None | -1 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 617 | 14 | 6 | 10 | -1.5 | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5c4[C@@]2(CCN3C)[C@H]1O5 | 10.1021/jm800174p | ||
| CHEMBL452991 | 172888 | 0 | None | -1 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 617 | 14 | 6 | 10 | -1.5 | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5c4[C@@]2(CCN3C)[C@H]1O5 | 10.1021/jm800174p | ||
| 25193919 | 188461 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 786 | 22 | 6 | 10 | 1.7 | CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm800174p | ||
| CHEMBL509524 | 188461 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 786 | 22 | 6 | 10 | 1.7 | CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm800174p | ||
| CHEMBL1206334 | 206854 | 0 | None | 1023 | 2 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80678-2 | ||||
| CHEMBL262894 | 206854 | 0 | None | 1023 | 2 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80678-2 | ||||
| 887 | 4035 | 24 | None | -1 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1016/j.bmc.2007.12.047 | ||
| 9870520 | 4035 | 24 | None | -1 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL324547 | 4035 | 24 | None | -1 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1016/j.bmc.2007.12.047 | ||
| DB12355 | 4035 | 24 | None | -1 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1016/j.bmc.2007.12.047 | ||
| 135423404 | 85073 | 0 | None | 16 | 4 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 570 | 8 | 2 | 7 | 5.0 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(-c2noc(=O)[nH]2)c1 | 10.1021/jm070139l | ||
| CHEMBL227276 | 85073 | 0 | None | 16 | 4 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 570 | 8 | 2 | 7 | 5.0 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(-c2noc(=O)[nH]2)c1 | 10.1021/jm070139l | ||
| CHEMBL2372781 | 208533 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(S(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O | 10.1021/jm00053a022 | ||||
| 887 | 4035 | 24 | None | -1 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm051219x | ||
| 9870520 | 4035 | 24 | None | -1 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm051219x | ||
| CHEMBL324547 | 4035 | 24 | None | -1 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm051219x | ||
| DB12355 | 4035 | 24 | None | -1 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm051219x | ||
| 887 | 4035 | 24 | None | -1 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm070139l | ||
| 9870520 | 4035 | 24 | None | -1 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm070139l | ||
| CHEMBL324547 | 4035 | 24 | None | -1 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm070139l | ||
| DB12355 | 4035 | 24 | None | -1 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 10.1021/jm070139l | ||
| 903 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 9850711 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL138534 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL2111312 | 2963 | 6 | None | - | 1 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL411271 | 211118 | 0 | None | 2 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||||
| CHEMBL384035 | 210559 | 1 | None | 8 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80678-2 | ||||
| CHEMBL428666 | 210559 | 1 | None | 8 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80678-2 | ||||
| 44346225 | 161348 | 0 | None | 12022 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.6 | O=C(Nc1cccc(CO)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL415240 | 161348 | 0 | None | 12022 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.6 | O=C(Nc1cccc(CO)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 135610887 | 85003 | 0 | None | 22 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 558 | 7 | 2 | 7 | 4.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226583 | 85003 | 0 | None | 22 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 558 | 7 | 2 | 7 | 4.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 44382456 | 119942 | 0 | None | -1 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 572 | 10 | 5 | 5 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)cc1 | 10.1016/S0960-894X(00)80686-1 | ||
| CHEMBL354049 | 119942 | 0 | None | -1 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 572 | 10 | 5 | 5 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)cc1 | 10.1016/S0960-894X(00)80686-1 | ||
| CHEMBL83942 | 119942 | 0 | None | -1 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 572 | 10 | 5 | 5 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)cc1 | 10.1016/S0960-894X(00)80686-1 | ||
| 9958214 | 114282 | 0 | None | 269 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 5.1 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL333979 | 114282 | 0 | None | 269 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 5.1 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL382409 | 210549 | 0 | None | 6918 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 44346047 | 112890 | 0 | None | 537 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 6.4 | O=C(Nc1cccc(C2N=NN=N2)c1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O | 10.1021/jm990967h | ||
| CHEMBL331872 | 112890 | 0 | None | 537 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 6.4 | O=C(Nc1cccc(C2N=NN=N2)c1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O | 10.1021/jm990967h | ||
| CHEMBL384035 | 210559 | 1 | None | 8 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||||
| CHEMBL428666 | 210559 | 1 | None | 8 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||||
| 16732162 | 141549 | 0 | None | 1862 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 584 | 8 | 2 | 6 | 6.4 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL388144 | 141549 | 0 | None | 1862 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 584 | 8 | 2 | 6 | 6.4 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 9958214 | 114282 | 0 | None | 269 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 5.1 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL333979 | 114282 | 0 | None | 269 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 5.1 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | 10.1021/jm990967h | ||
| 5311400 | 3229 | 1 | None | 2 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 900 | 3229 | 1 | None | 2 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| CHEMBL262197 | 3229 | 1 | None | 2 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00126a007 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00126a007 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00126a007 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00126a007 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00126a007 | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80678-2 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80678-2 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80678-2 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80678-2 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80678-2 | ||||
| 16732163 | 141520 | 0 | None | 2 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 544 | 9 | 2 | 5 | 5.2 | O=C(O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| CHEMBL387948 | 141520 | 0 | None | 2 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 544 | 9 | 2 | 5 | 5.2 | O=C(O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| 44345980 | 113622 | 0 | None | 79 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 538 | 6 | 2 | 7 | 6.2 | CC(C)(C)CCN1C(=O)C(NC(=O)Nc2cccc(C3N=NN=N3)c2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL332902 | 113622 | 0 | None | 79 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 538 | 6 | 2 | 7 | 6.2 | CC(C)(C)CCN1C(=O)C(NC(=O)Nc2cccc(C3N=NN=N3)c2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| 16732164 | 142759 | 0 | None | 2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 571 | 8 | 2 | 6 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3ccn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL389711 | 142759 | 0 | None | 2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 571 | 8 | 2 | 6 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3ccn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 10769001 | 112669 | 0 | None | 13803 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 549 | 5 | 3 | 4 | 5.7 | Nc1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL331468 | 112669 | 0 | None | 13803 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 549 | 5 | 3 | 4 | 5.7 | Nc1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00053a022 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00053a022 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00053a022 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00053a022 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00053a022 | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80669-1 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80669-1 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80669-1 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80669-1 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80669-1 | ||||
| 10505959 | 112979 | 0 | None | 74 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 513 | 6 | 2 | 4 | 5.4 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL331975 | 112979 | 0 | None | 74 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 513 | 6 | 2 | 4 | 5.4 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL411271 | 211118 | 0 | None | -2 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||||
| 16733469 | 85079 | 0 | None | 4 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 576 | 10 | 2 | 6 | 5.8 | O=C(O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| CHEMBL227333 | 85079 | 0 | None | 4 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 576 | 10 | 2 | 6 | 5.8 | O=C(O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| 10815832 | 14998 | 0 | None | 109 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 520 | 7 | 2 | 4 | 5.8 | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL121021 | 14998 | 0 | None | 109 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 520 | 7 | 2 | 4 | 5.8 | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | 10.1021/jm990967h | ||
| 16733466 | 85078 | 0 | None | 3 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 558 | 10 | 2 | 5 | 5.6 | O=C(O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| CHEMBL227330 | 85078 | 0 | None | 3 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 558 | 10 | 2 | 5 | 5.6 | O=C(O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 | 10.1021/jm070139l | ||
| 108187 | 911 | 30 | None | -4 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm990967h | ||
| 873 | 911 | 30 | None | -4 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm990967h | ||
| CHEMBL2062154 | 911 | 30 | None | -4 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm990967h | ||
| CHEMBL287735 | 911 | 30 | None | -4 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm990967h | ||
| 16733307 | 168246 | 0 | None | 1819 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 585 | 8 | 2 | 7 | 5.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(C(=O)O)co3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL437736 | 168246 | 0 | None | 1819 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 585 | 8 | 2 | 7 | 5.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(C(=O)O)co3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 9850043 | 112362 | 1 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL330977 | 112362 | 1 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 44328894 | 108124 | 0 | None | 25 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 587 | 5 | 2 | 4 | 4.8 | O=C(Nc1ccc(F)cc1)NC1C(=O)N(CC(=O)N2CC3CCC(CC3)C2)c2ccccc2N(c2ccccc2F)C1=O | 10.1016/S0960-894X(96)00613-0 | ||
| CHEMBL320624 | 108124 | 0 | None | 25 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 587 | 5 | 2 | 4 | 4.8 | O=C(Nc1ccc(F)cc1)NC1C(=O)N(CC(=O)N2CC3CCC(CC3)C2)c2ccccc2N(c2ccccc2F)C1=O | 10.1016/S0960-894X(96)00613-0 | ||
| 108187 | 911 | 30 | None | -4 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970439a | ||
| 873 | 911 | 30 | None | -4 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970439a | ||
| CHEMBL2062154 | 911 | 30 | None | -4 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970439a | ||
| CHEMBL287735 | 911 | 30 | None | -4 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970439a | ||
| 44318341 | 204271 | 0 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 698 | 10 | 5 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL1628582 | 204271 | 0 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 698 | 10 | 5 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL84864 | 204271 | 0 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 698 | 10 | 5 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| 4627 | 807 | 44 | None | 1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm970477u | ||||
| 864 | 807 | 44 | None | 1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm970477u | ||||
| 9833444 | 807 | 44 | None | 1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm970477u | ||||
| CHEMBL1121 | 807 | 44 | None | 1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm970477u | ||||
| DB09142 | 807 | 44 | None | 1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm970477u | ||||
| 4627 | 807 | 44 | None | 1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990252e | ||||
| 864 | 807 | 44 | None | 1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990252e | ||||
| 9833444 | 807 | 44 | None | 1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990252e | ||||
| CHEMBL1121 | 807 | 44 | None | 1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990252e | ||||
| DB09142 | 807 | 44 | None | 1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990252e | ||||
| 135529065 | 156461 | 0 | None | 7 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 588 | 7 | 2 | 7 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL407340 | 156461 | 0 | None | 7 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 588 | 7 | 2 | 7 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL1207511 | 206857 | 0 | None | 2398 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80678-2 | ||||
| CHEMBL412917 | 206857 | 0 | None | 2398 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80678-2 | ||||
| 10768190 | 112320 | 0 | None | 15 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 516 | 6 | 2 | 4 | 6.0 | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL330773 | 112320 | 0 | None | 15 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 516 | 6 | 2 | 4 | 6.0 | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| 44351446 | 155588 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 631 | 9 | 3 | 8 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL406359 | 155588 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 631 | 9 | 3 | 8 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 6439414 | 2964 | 11 | None | 2454 | 2 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 612 | 11 | 5 | 5 | 4.6 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)/C=C/C(=O)O | 10.1021/jm00087a011 | ||
| 867 | 2964 | 11 | None | 2454 | 2 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 612 | 11 | 5 | 5 | 4.6 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)/C=C/C(=O)O | 10.1021/jm00087a011 | ||
| CHEMBL3351022 | 2964 | 11 | None | 2454 | 2 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 612 | 11 | 5 | 5 | 4.6 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)/C=C/C(=O)O | 10.1021/jm00087a011 | ||
| CHEMBL341460 | 2964 | 11 | None | 2454 | 2 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 612 | 11 | 5 | 5 | 4.6 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)/C=C/C(=O)O | 10.1021/jm00087a011 | ||
| 44318341 | 204271 | 0 | None | -1 | 3 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 698 | 10 | 5 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL1628582 | 204271 | 0 | None | -1 | 3 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 698 | 10 | 5 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL84864 | 204271 | 0 | None | -1 | 3 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 698 | 10 | 5 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| 10509035 | 14328 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 714 | 19 | 7 | 8 | 0.3 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS(=O)(=O)O | 10.1021/jm0000416 | ||
| CHEMBL120150 | 14328 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 714 | 19 | 7 | 8 | 0.3 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS(=O)(=O)O | 10.1021/jm0000416 | ||
| 44271963 | 96264 | 0 | None | 4466 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1274 | 26 | 13 | 15 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)[C@H](NC(=O)OC(C)(C)C)CCC(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| CHEMBL264273 | 96264 | 0 | None | 4466 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1274 | 26 | 13 | 15 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)[C@H](NC(=O)OC(C)(C)C)CCC(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| 10604664 | 154684 | 0 | None | 602 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 691 | 9 | 2 | 7 | 5.6 | O=C(Nc1cccc(C(=O)OCCN2CCOCC2)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL402702 | 154684 | 0 | None | 602 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 691 | 9 | 2 | 7 | 5.6 | O=C(Nc1cccc(C(=O)OCCN2CCOCC2)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 10792765 | 112568 | 0 | None | 2754 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 550 | 5 | 3 | 4 | 5.8 | O=C(Nc1cccc(O)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL331244 | 112568 | 0 | None | 2754 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 550 | 5 | 3 | 4 | 5.8 | O=C(Nc1cccc(O)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 4627 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| 864 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| 9833444 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| CHEMBL1121 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| DB09142 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| CHEMBL132314 | 206950 | 0 | None | 2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0303103 | ||||
| 4627 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 864 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 9833444 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| CHEMBL1121 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| DB09142 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 10768579 | 113354 | 0 | None | 32 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 531 | 6 | 2 | 4 | 5.5 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL332568 | 113354 | 0 | None | 32 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 531 | 6 | 2 | 4 | 5.5 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | 10.1021/jm990967h | ||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9603072 | ||||
| 16732911 | 142672 | 0 | None | 4 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 564 | 9 | 2 | 6 | 5.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL389639 | 142672 | 0 | None | 4 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 564 | 9 | 2 | 6 | 5.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 10838957 | 12351 | 0 | None | 151 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 495 | 5 | 2 | 4 | 5.2 | CC(C)(C)CCN1C(=O)C(NC(=O)Nc2cccc(C#N)c2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL118622 | 12351 | 0 | None | 151 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 495 | 5 | 2 | 4 | 5.2 | CC(C)(C)CCN1C(=O)C(NC(=O)Nc2cccc(C#N)c2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80686-1 | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80686-1 | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80686-1 | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80686-1 | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80686-1 | ||||
| 16732022 | 85072 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 6.3 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3csc(C(=O)O)n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL227275 | 85072 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 6.3 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3csc(C(=O)O)n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 10370321 | 12858 | 0 | None | 30902 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 550 | 5 | 3 | 4 | 5.8 | O=C(Nc1ccc(O)cc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL118954 | 12858 | 0 | None | 30902 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 550 | 5 | 3 | 4 | 5.8 | O=C(Nc1ccc(O)cc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 10555899 | 112861 | 0 | None | 2344 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 623 | 8 | 5 | 6 | 5.2 | CC(O)C(O)Nc1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL331763 | 112861 | 0 | None | 2344 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 623 | 8 | 5 | 6 | 5.2 | CC(O)C(O)Nc1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| 10552321 | 163347 | 0 | None | 165 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 470 | 5 | 2 | 3 | 5.3 | CC(C)(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL420728 | 163347 | 0 | None | 165 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 470 | 5 | 2 | 3 | 5.3 | CC(C)(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| 10792618 | 163790 | 0 | None | 70 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 543 | 7 | 2 | 4 | 5.7 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL421271 | 163790 | 0 | None | 70 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 543 | 7 | 2 | 4 | 5.7 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)c1 | 10.1021/jm990967h | ||
| 4627 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2003.11.001 | ||||
| 864 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2003.11.001 | ||||
| 9833444 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2003.11.001 | ||||
| CHEMBL1121 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2003.11.001 | ||||
| DB09142 | 807 | 44 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2003.11.001 | ||||
| 14802525 | 114965 | 1 | None | - | 1 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 626 | 12 | 5 | 5 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL3351024 | 114965 | 1 | None | - | 1 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 626 | 12 | 5 | 5 | 4.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 16732021 | 167900 | 0 | None | 549 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 588 | 9 | 2 | 8 | 5.3 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCc3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL435143 | 167900 | 0 | None | 549 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 588 | 9 | 2 | 8 | 5.3 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCc3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 9850043 | 112362 | 1 | None | 1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL330977 | 112362 | 1 | None | 1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 10767708 | 14362 | 0 | None | 138 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 500 | 6 | 2 | 3 | 5.6 | O=C(Nc1ccccc1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O | 10.1021/jm990967h | ||
| CHEMBL120296 | 14362 | 0 | None | 138 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 500 | 6 | 2 | 3 | 5.6 | O=C(Nc1ccccc1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O | 10.1021/jm990967h | ||
| 10840039 | 113281 | 0 | None | 16 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 534 | 6 | 2 | 4 | 6.2 | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL332403 | 113281 | 0 | None | 16 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 534 | 6 | 2 | 4 | 6.2 | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | 10.1021/jm990967h | ||
| 10723216 | 161434 | 0 | None | 4466 | 2 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 680 | 11 | 6 | 5 | 5.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL415936 | 161434 | 0 | None | 4466 | 2 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 680 | 11 | 6 | 5 | 5.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| 5311400 | 3229 | 1 | None | -2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 900 | 3229 | 1 | None | -2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| CHEMBL262197 | 3229 | 1 | None | -2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0000416 | ||||
| 10554602 | 15108 | 0 | None | 29 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 546 | 7 | 2 | 4 | 6.3 | CSc1cccc(NC(=O)NC2C(=O)N(CCC3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL121331 | 15108 | 0 | None | 29 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 546 | 7 | 2 | 4 | 6.3 | CSc1cccc(NC(=O)NC2C(=O)N(CCC3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)c1 | 10.1021/jm990967h | ||
| 16732165 | 168371 | 0 | None | 3235 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 571 | 8 | 2 | 6 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3c(ccn3CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL438843 | 168371 | 0 | None | 3235 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 571 | 8 | 2 | 6 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3c(ccn3CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 16732755 | 85011 | 0 | None | 10000 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 544 | 8 | 2 | 5 | 5.7 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCCC2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1021/jm070139l | ||
| CHEMBL226622 | 85011 | 0 | None | 10000 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 544 | 8 | 2 | 5 | 5.7 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCCC2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1021/jm070139l | ||
| CHEMBL333477 | 209636 | 0 | None | 3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm0000416 | ||||
| CHEMBL2372784 | 208535 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||||
| CHEMBL333477 | 209636 | 0 | None | 3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm9603072 | ||||
| 16732444 | 142762 | 0 | None | 2570 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 572 | 8 | 2 | 7 | 4.9 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3cnn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL389713 | 142762 | 0 | None | 2570 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 572 | 8 | 2 | 7 | 4.9 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3cnn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 10722460 | 15008 | 0 | None | 309 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 612 | 5 | 2 | 3 | 6.9 | O=C(Nc1cccc(Br)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL121028 | 15008 | 0 | None | 309 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 612 | 5 | 2 | 3 | 6.9 | O=C(Nc1cccc(Br)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 44461961 | 105117 | 0 | None | 9 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 724 | 11 | 4 | 5 | 6.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N=[N+]=[N-])c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL2079605 | 105117 | 0 | None | 9 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 724 | 11 | 4 | 5 | 6.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N=[N+]=[N-])c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL312252 | 105117 | 0 | None | 9 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 724 | 11 | 4 | 5 | 6.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N=[N+]=[N-])c(I)c1 | 10.1016/0960-894X(95)00435-V | ||
| 44451581 | 95368 | 0 | None | 5 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 594 | 9 | 2 | 6 | 6.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCC(=O)O)c2)C(=O)N(C2CCCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL258863 | 95368 | 0 | None | 5 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 594 | 9 | 2 | 6 | 6.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCC(=O)O)c2)C(=O)N(C2CCCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| 16733310 | 168267 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 597 | 9 | 2 | 6 | 6.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3cccn3CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL437930 | 168267 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 597 | 9 | 2 | 6 | 6.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3cccn3CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 9850043 | 112362 | 1 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL330977 | 112362 | 1 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 3503 | 1854 | 8 | None | 1174 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(N[C@H]1C(=O)N(c2ccccc2)c2c(N(C1=O)CC13CC4CC(C3)CC(C1)C4)cccc2)Nc1ccccc1 | 10.1016/S0960-894X(96)00544-6 | ||
| 5311147 | 1854 | 8 | None | 1174 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(N[C@H]1C(=O)N(c2ccccc2)c2c(N(C1=O)CC13CC4CC(C3)CC(C1)C4)cccc2)Nc1ccccc1 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL329305 | 1854 | 8 | None | 1174 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(N[C@H]1C(=O)N(c2ccccc2)c2c(N(C1=O)CC13CC4CC(C3)CC(C1)C4)cccc2)Nc1ccccc1 | 10.1016/S0960-894X(96)00544-6 | ||
| 10696354 | 112978 | 0 | None | 74 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 488 | 5 | 2 | 3 | 5.5 | CC(C)(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2F)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL331971 | 112978 | 0 | None | 74 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 488 | 5 | 2 | 3 | 5.5 | CC(C)(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2F)c2ccccc21 | 10.1021/jm990967h | ||
| 44346296 | 113986 | 0 | None | 1174 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 562 | 6 | 2 | 4 | 5.9 | O=Cc1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL333517 | 113986 | 0 | None | 1174 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 562 | 6 | 2 | 4 | 5.9 | O=Cc1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| 10698427 | 14370 | 0 | None | 645 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 578 | 6 | 3 | 4 | 5.8 | O=C(Nc1cccc(C(=O)O)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL120363 | 14370 | 0 | None | 645 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 578 | 6 | 3 | 4 | 5.8 | O=C(Nc1cccc(C(=O)O)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 108187 | 911 | 30 | None | -4 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(00)80686-1 | ||
| 873 | 911 | 30 | None | -4 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(00)80686-1 | ||
| CHEMBL2062154 | 911 | 30 | None | -4 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(00)80686-1 | ||
| CHEMBL287735 | 911 | 30 | None | -4 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1016/S0960-894X(00)80686-1 | ||
| 11527738 | 75621 | 0 | None | -2 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL205455 | 75621 | 0 | None | -2 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| 44572200 | 178753 | 0 | None | 14 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 510 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm801439x | ||
| CHEMBL473612 | 178753 | 0 | None | 14 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 510 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm801439x | ||
| CHEMBL475226 | 178753 | 0 | None | 14 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 510 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm801439x | ||
| 16732019 | 84995 | 0 | None | 3 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 4.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226533 | 84995 | 0 | None | 3 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 4.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 16731872 | 85010 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 530 | 8 | 2 | 5 | 5.3 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1021/jm070139l | ||
| CHEMBL226620 | 85010 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 530 | 8 | 2 | 5 | 5.3 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1021/jm070139l | ||
| CHEMBL2372780 | 208532 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC)C(=O)N[C@@H](Cc1ccc(S(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O | 10.1021/jm00053a022 | ||||
| 9939572 | 37243 | 0 | None | 21 | 3 | Mouse | 9.0 | pKi | = | 9 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL14557 | 37243 | 0 | None | 21 | 3 | Mouse | 9.0 | pKi | = | 9 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067949 | 37243 | 0 | None | 21 | 3 | Mouse | 9.0 | pKi | = | 9 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 44346345 | 112572 | 0 | None | 43 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 523 | 5 | 2 | 4 | 5.1 | CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3CC4CCC3C4)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL331262 | 112572 | 0 | None | 43 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 523 | 5 | 2 | 4 | 5.1 | CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3CC4CCC3C4)C2=O)c1 | 10.1021/jm990967h | ||
| 16732017 | 85028 | 0 | None | 6025 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 561 | 9 | 2 | 6 | 5.0 | CN(CC(=O)O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm070139l | ||
| CHEMBL226726 | 85028 | 0 | None | 6025 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 561 | 9 | 2 | 6 | 5.0 | CN(CC(=O)O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm070139l | ||
| 9939572 | 37243 | 0 | None | 21 | 3 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL14557 | 37243 | 0 | None | 21 | 3 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL2067949 | 37243 | 0 | None | 21 | 3 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL218327 | 207639 | 0 | None | -2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 9939572 | 37243 | 0 | None | 21 | 3 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm000960w | ||
| CHEMBL14557 | 37243 | 0 | None | 21 | 3 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm000960w | ||
| CHEMBL2067949 | 37243 | 0 | None | 21 | 3 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm000960w | ||
| 10579091 | 14242 | 0 | None | 398 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 577 | 6 | 2 | 4 | 6.2 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL120021 | 14242 | 0 | None | 398 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 577 | 6 | 2 | 4 | 6.2 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| 10552320 | 116943 | 0 | None | 109 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 470 | 6 | 2 | 3 | 5.2 | CC(C)C(C)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL339879 | 116943 | 0 | None | 109 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 470 | 6 | 2 | 3 | 5.2 | CC(C)C(C)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| 10415968 | 114955 | 0 | None | - | 1 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 588 | 12 | 5 | 5 | 4.3 | C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL3351013 | 114955 | 0 | None | - | 1 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 588 | 12 | 5 | 5 | 4.3 | C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 118727697 | 117074 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 2115 | 63 | 21 | 28 | 0.8 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cc(CN(Cc2cn(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)nn2)Cc2cn(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)nn2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2015.02.028 | ||
| CHEMBL3400295 | 117074 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 2115 | 63 | 21 | 28 | 0.8 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cc(CN(Cc2cn(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)nn2)Cc2cn(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)nn2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2015.02.028 | ||
| 136036823 | 155125 | 0 | None | 37 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 574 | 7 | 2 | 7 | 4.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL404967 | 155125 | 0 | None | 37 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 574 | 7 | 2 | 7 | 4.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| 44425006 | 141536 | 0 | None | 3311 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 544 | 8 | 2 | 5 | 5.6 | CC1CCCC1C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL388068 | 141536 | 0 | None | 3311 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 544 | 8 | 2 | 5 | 5.6 | CC1CCCC1C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 9853208 | 101241 | 0 | None | 1071 | 2 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 710 | 11 | 6 | 9 | 4.5 | O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2[nH]ccc2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)cc(-c2nn[nH]n2)c1 | 10.1021/jm9508907 | ||
| CHEMBL299540 | 101241 | 0 | None | 1071 | 2 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 710 | 11 | 6 | 9 | 4.5 | O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2[nH]ccc2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)cc(-c2nn[nH]n2)c1 | 10.1021/jm9508907 | ||
| 10652142 | 101086 | 0 | None | 1819 | 2 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 679 | 11 | 5 | 6 | 6.2 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccsc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL298521 | 101086 | 0 | None | 1819 | 2 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 679 | 11 | 5 | 6 | 6.2 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccsc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| 10555899 | 112861 | 0 | None | 2344 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 623 | 8 | 5 | 6 | 5.2 | CC(O)C(O)Nc1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL331763 | 112861 | 0 | None | 2344 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 623 | 8 | 5 | 6 | 5.2 | CC(O)C(O)Nc1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| 11801315 | 114263 | 0 | None | 50 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 577 | 6 | 2 | 4 | 6.0 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL333930 | 114263 | 0 | None | 50 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 577 | 6 | 2 | 4 | 6.0 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| 44357046 | 27835 | 1 | None | -18 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1012 | 28 | 9 | 13 | 0.7 | CSCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| CHEMBL137280 | 27835 | 1 | None | -18 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1012 | 28 | 9 | 13 | 0.7 | CSCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| CHEMBL206974 | 207428 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm0303103 | ||||
| CHEMBL336381 | 209827 | 0 | None | 97 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm0303103 | ||||
| 10769748 | 112495 | 0 | None | 1148 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 591 | 6 | 3 | 4 | 6.1 | CC(=O)Nc1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL331119 | 112495 | 0 | None | 1148 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 591 | 6 | 3 | 4 | 6.1 | CC(=O)Nc1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| 10604418 | 12335 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 662 | 18 | 6 | 6 | 2.0 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C | 10.1021/jm0000416 | ||
| CHEMBL118610 | 12335 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 662 | 18 | 6 | 6 | 2.0 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C | 10.1021/jm0000416 | ||
| 10098459 | 4186 | 0 | None | 208 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 528 | 7 | 2 | 3 | 5.8 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL100548 | 4186 | 0 | None | 208 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 528 | 7 | 2 | 3 | 5.8 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| 10508004 | 11679 | 0 | None | 2454 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 612 | 5 | 2 | 3 | 6.9 | O=C(Nc1ccc(Br)cc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL118189 | 11679 | 0 | None | 2454 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 612 | 5 | 2 | 3 | 6.9 | O=C(Nc1ccc(Br)cc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 108187 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00087a011 | ||
| 873 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00087a011 | ||
| CHEMBL2062154 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00087a011 | ||
| CHEMBL287735 | 911 | 30 | None | -9 | 5 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm00087a011 | ||
| CHEMBL206974 | 207428 | 0 | None | 1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 44346255 | 116368 | 0 | None | 30 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 564 | 6 | 2 | 7 | 6.7 | CC(C)(C1CCCC1)N1C(=O)C(NC(=O)Nc2cccc(C3N=NN=N3)c2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL338278 | 116368 | 0 | None | 30 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 564 | 6 | 2 | 7 | 6.7 | CC(C)(C1CCCC1)N1C(=O)C(NC(=O)Nc2cccc(C3N=NN=N3)c2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| 10004216 | 4660 | 0 | None | 11 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.9 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL103750 | 4660 | 0 | None | 11 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.9 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| 10792724 | 14280 | 0 | None | 162 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 548 | 5 | 2 | 3 | 6.4 | Cc1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL120031 | 14280 | 0 | None | 162 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 548 | 5 | 2 | 3 | 6.4 | Cc1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| 19043400 | 98275 | 0 | None | 162 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 480 | 4 | 2 | 3 | 5.1 | O=C(Nc1ccccc1)NC1C(=O)N(c2ccccc2)c2ccccc2N(C2CC3CCC2C3)C1=O | 10.1021/jm990967h | ||
| CHEMBL278018 | 98275 | 0 | None | 162 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 480 | 4 | 2 | 3 | 5.1 | O=C(Nc1ccccc1)NC1C(=O)N(c2ccccc2)c2ccccc2N(C2CC3CCC2C3)C1=O | 10.1021/jm990967h | ||
| 10795162 | 118520 | 0 | None | 630 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 751 | 11 | 5 | 5 | 6.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL2067970 | 118520 | 0 | None | 630 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 751 | 11 | 5 | 5 | 6.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL342616 | 118520 | 0 | None | 630 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 751 | 11 | 5 | 5 | 6.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 16733185 | 141548 | 0 | None | 346 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 594 | 8 | 2 | 5 | 6.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3cccc(C(=O)O)c3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL388143 | 141548 | 0 | None | 346 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 594 | 8 | 2 | 5 | 6.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3cccc(C(=O)O)c3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 44296914 | 100766 | 0 | None | 1318 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 765 | 12 | 5 | 5 | 7.0 | O=C(CC1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL296167 | 100766 | 0 | None | 1318 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 765 | 12 | 5 | 5 | 7.0 | O=C(CC1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm990967h | ||
| 10795162 | 118520 | 0 | None | 630 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 751 | 11 | 5 | 5 | 6.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067970 | 118520 | 0 | None | 630 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 751 | 11 | 5 | 5 | 6.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL342616 | 118520 | 0 | None | 630 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 751 | 11 | 5 | 5 | 6.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 44329156 | 205890 | 0 | None | 50 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 535 | 5 | 2 | 4 | 4.0 | O=C(Nc1ccc(F)cc1)N[C@H]1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(C2CCCCCC2)C1=O | 10.1016/S0960-894X(96)00613-0 | ||
| CHEMBL95200 | 205890 | 0 | None | 50 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 535 | 5 | 2 | 4 | 4.0 | O=C(Nc1ccc(F)cc1)N[C@H]1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(C2CCCCCC2)C1=O | 10.1016/S0960-894X(96)00613-0 | ||
| CHEMBL430298 | 211860 | 0 | None | -3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm0303103 | ||||
| CHEMBL382349 | 210545 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 44379188 | 57167 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 614 | 11 | 4 | 7 | 4.5 | C[C@@](N)(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(00)80669-1 | ||
| CHEMBL165869 | 57167 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 614 | 11 | 4 | 7 | 4.5 | C[C@@](N)(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1016/S0960-894X(00)80669-1 | ||
| 44346126 | 15082 | 0 | None | 27 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 514 | 4 | 2 | 3 | 5.7 | O=C(Nc1cccc(Cl)c1)NC1C(=O)N(c2ccccc2)c2ccccc2N(C2CC3CCC2C3)C1=O | 10.1021/jm990967h | ||
| CHEMBL121267 | 15082 | 0 | None | 27 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 514 | 4 | 2 | 3 | 5.7 | O=C(Nc1cccc(Cl)c1)NC1C(=O)N(c2ccccc2)c2ccccc2N(C2CC3CCC2C3)C1=O | 10.1021/jm990967h | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(00)80686-1 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(00)80686-1 | ||
| 10723875 | 14758 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 767 | 21 | 7 | 7 | 2.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)NCc1ccccc1 | 10.1021/jm0000416 | ||
| CHEMBL120827 | 14758 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 767 | 21 | 7 | 7 | 2.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)NCc1ccccc1 | 10.1021/jm0000416 | ||
| 16731874 | 85019 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 546 | 9 | 2 | 5 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226675 | 85019 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 546 | 9 | 2 | 5 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 9958214 | 114282 | 0 | None | 269 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 5.1 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL333979 | 114282 | 0 | None | 269 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 5.1 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | 10.1021/jm990967h | ||
| 108187 | 911 | 30 | None | -4 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm990967h | ||
| 873 | 911 | 30 | None | -4 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm990967h | ||
| CHEMBL2062154 | 911 | 30 | None | -4 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm990967h | ||
| CHEMBL287735 | 911 | 30 | None | -4 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm990967h | ||
| 44351445 | 116421 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 654 | 8 | 3 | 6 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338525 | 116421 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 654 | 8 | 3 | 6 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 10793342 | 112593 | 0 | None | 158 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 579 | 6 | 2 | 5 | 6.0 | O=C(Nc1cccc([N+](=O)[O-])c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL331405 | 112593 | 0 | None | 158 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 579 | 6 | 2 | 5 | 6.0 | O=C(Nc1cccc([N+](=O)[O-])c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 16732020 | 85071 | 0 | None | 2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 571 | 8 | 2 | 8 | 4.7 | CN(c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1)c1nn[nH]n1 | 10.1021/jm070139l | ||
| CHEMBL227254 | 85071 | 0 | None | 2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 571 | 8 | 2 | 8 | 4.7 | CN(c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1)c1nn[nH]n1 | 10.1021/jm070139l | ||
| 10768658 | 114291 | 0 | None | 42 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.0 | O=C(Nc1ccccc1)NC1C(=O)N(CC2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL334020 | 114291 | 0 | None | 42 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.0 | O=C(Nc1ccccc1)NC1C(=O)N(CC2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 9960432 | 39172 | 6 | None | 12 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 605 | 8 | 3 | 5 | 5.0 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL147186 | 39172 | 6 | None | 12 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 605 | 8 | 3 | 5 | 5.0 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1016/j.bmc.2007.12.047 | ||
| 45486935 | 195074 | 0 | None | 25 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 612 | 8 | 3 | 7 | 4.5 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| CHEMBL565298 | 195074 | 0 | None | 25 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 612 | 8 | 3 | 7 | 4.5 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| 45102806 | 195078 | 0 | None | 15 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 646 | 8 | 3 | 7 | 5.1 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| CHEMBL565324 | 195078 | 0 | None | 15 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 646 | 8 | 3 | 7 | 5.1 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| 45486964 | 195708 | 0 | None | 39 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 606 | 8 | 3 | 6 | 4.4 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| CHEMBL569391 | 195708 | 0 | None | 39 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 606 | 8 | 3 | 6 | 4.4 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| 45487006 | 197224 | 0 | None | 10 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 666 | 8 | 3 | 6 | 5.0 | O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| CHEMBL584525 | 197224 | 0 | None | 10 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 666 | 8 | 3 | 6 | 5.0 | O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| 11786290 | 80121 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 558 | 4 | 1 | 6 | 4.6 | O=C(c1cc(Br)c(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL214836 | 80121 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 558 | 4 | 1 | 6 | 4.6 | O=C(c1cc(Br)c(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 10004216 | 4660 | 0 | None | 11 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.9 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL103750 | 4660 | 0 | None | 11 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.9 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL120632 | 206853 | 30 | None | 5 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01320 | ||||
| 10747599 | 25641 | 0 | None | 46 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 743 | 11 | 5 | 5 | 6.7 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCc2cccc3ccccc23)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL135350 | 25641 | 0 | None | 46 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 743 | 11 | 5 | 5 | 6.7 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCc2cccc3ccccc23)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 44331506 | 106788 | 0 | None | 22 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 574 | 5 | 2 | 3 | 6.8 | O=C(Nc1cccc(Cl)c1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL317108 | 106788 | 0 | None | 22 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 574 | 5 | 2 | 3 | 6.8 | O=C(Nc1cccc(Cl)c1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL1172249 | 206830 | 0 | None | -16 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 16090780 | 79907 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 494 | 4 | 1 | 6 | 4.2 | Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c2nsnc12 | 10.1021/jm060590x | ||
| CHEMBL214235 | 79907 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 494 | 4 | 1 | 6 | 4.2 | Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c2nsnc12 | 10.1021/jm060590x | ||
| 16090684 | 81856 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 494 | 4 | 1 | 6 | 4.2 | Cc1ccc2nsnc2c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL217170 | 81856 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 494 | 4 | 1 | 6 | 4.2 | Cc1ccc2nsnc2c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1 | 10.1021/jm060590x | ||
| 44417429 | 140848 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 448 | 5 | 2 | 7 | 3.5 | O=C(c1ccc(CS)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL383919 | 140848 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 448 | 5 | 2 | 7 | 3.5 | O=C(c1ccc(CS)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 45486970 | 195942 | 0 | None | 3 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 578 | 8 | 3 | 7 | 5.0 | CC(C)(c1ccc(Cl)cc1)[C@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL570761 | 195942 | 0 | None | 3 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 578 | 8 | 3 | 7 | 5.0 | CC(C)(c1ccc(Cl)cc1)[C@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O | 10.1016/j.bmcl.2009.09.064 | ||
| 45486995 | 196114 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 486 | 8 | 2 | 6 | 4.5 | O=C(NCCCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL572046 | 196114 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 486 | 8 | 2 | 6 | 4.5 | O=C(NCCCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 53465843 | 69052 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 441 | 8 | 4 | 3 | 4.2 | O=C(Nc1ccccc1C(=O)N[C@@H](CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1 | 10.1021/jm200438b | ||
| CHEMBL1933103 | 69052 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 441 | 8 | 4 | 3 | 4.2 | O=C(Nc1ccccc1C(=O)N[C@@H](CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1 | 10.1021/jm200438b | ||
| 53465844 | 69053 | 0 | None | -131 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 441 | 8 | 4 | 3 | 4.2 | O=C(Nc1ccccc1C(=O)N[C@H](CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1 | 10.1021/jm200438b | ||
| CHEMBL1933104 | 69053 | 0 | None | -131 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 441 | 8 | 4 | 3 | 4.2 | O=C(Nc1ccccc1C(=O)N[C@H](CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1 | 10.1021/jm200438b | ||
| 11248998 | 158903 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 497 | 6 | 1 | 4 | 4.4 | O=C(CN1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(c2ccccc2)C1=O)Nc1ccccc1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL410138 | 158903 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 497 | 6 | 1 | 4 | 4.4 | O=C(CN1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(c2ccccc2)C1=O)Nc1ccccc1 | 10.1016/j.bmc.2007.12.047 | ||
| 16090795 | 140880 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 484 | 4 | 1 | 6 | 4.3 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCc2ccccc2C1 | 10.1021/jm060590x | ||
| CHEMBL384109 | 140880 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 484 | 4 | 1 | 6 | 4.3 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCc2ccccc2C1 | 10.1021/jm060590x | ||
| 11362153 | 141159 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 420 | 4 | 1 | 6 | 3.3 | O=C(c1ccc(F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL385636 | 141159 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 420 | 4 | 1 | 6 | 3.3 | O=C(c1ccc(F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 11430523 | 159774 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 436 | 4 | 1 | 6 | 3.8 | O=C(c1c(Cl)cccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL411069 | 159774 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 436 | 4 | 1 | 6 | 3.8 | O=C(c1c(Cl)cccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 11555110 | 11846 | 0 | None | 5 | 2 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 500 | 7 | 5 | 4 | 5.7 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccc4[nH]ccc4c3)nc2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1182962 | 11846 | 0 | None | 5 | 2 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 500 | 7 | 5 | 4 | 5.7 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccc4[nH]ccc4c3)nc2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067954 | 11846 | 0 | None | 5 | 2 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 500 | 7 | 5 | 4 | 5.7 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccc4[nH]ccc4c3)nc2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 11554414 | 12159 | 0 | None | 7 | 2 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 461 | 7 | 4 | 4 | 5.2 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccccc3)nc2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1184820 | 12159 | 0 | None | 7 | 2 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 461 | 7 | 4 | 4 | 5.2 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccccc3)nc2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067965 | 12159 | 0 | None | 7 | 2 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 461 | 7 | 4 | 4 | 5.2 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccccc3)nc2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 44346947 | 15111 | 0 | None | -1 | 2 | Mouse | 5.0 | pKi | = | 5 | Binding | ChEMBL | 389 | 4 | 2 | 2 | 4.3 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1CCCCC1 | 10.1021/jm00048a001 | ||
| CHEMBL121342 | 15111 | 0 | None | -1 | 2 | Mouse | 5.0 | pKi | = | 5 | Binding | ChEMBL | 389 | 4 | 2 | 2 | 4.3 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1CCCCC1 | 10.1021/jm00048a001 | ||
| CHEMBL2112488 | 207485 | 0 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00174a016 | ||||
| 11758573 | 109840 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 619 | 7 | 2 | 5 | 4.9 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL324032 | 109840 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 619 | 7 | 2 | 5 | 4.9 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 10532660 | 112766 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 690 | 19 | 7 | 7 | 1.0 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C\C(=O)O | 10.1021/jm0000416 | ||
| CHEMBL331495 | 112766 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 690 | 19 | 7 | 7 | 1.0 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C\C(=O)O | 10.1021/jm0000416 | ||
| 10676550 | 118844 | 0 | None | 12 | 2 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 751 | 11 | 5 | 5 | 6.6 | O=C(O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm00021a019 | ||
| CHEMBL344396 | 118844 | 0 | None | 12 | 2 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 751 | 11 | 5 | 5 | 6.6 | O=C(O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm00021a019 | ||
| 71452773 | 79162 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL2114379 | 79162 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 44357011 | 116057 | 0 | None | -1 | 2 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 779 | 11 | 3 | 7 | 6.8 | COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)OC)c1 | 10.1021/jm00021a019 | ||
| CHEMBL336453 | 116057 | 0 | None | -1 | 2 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 779 | 11 | 3 | 7 | 6.8 | COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)OC)c1 | 10.1021/jm00021a019 | ||
| 1647 | 1281 | 39 | None | -17 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm800174p | ||||
| 5462471 | 1281 | 39 | None | -17 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm800174p | ||||
| CHEMBL113995 | 1281 | 39 | None | -17 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm800174p | ||||
| CHEMBL38874 | 1281 | 39 | None | -17 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm800174p | ||||
| CHEMBL353862 | 209971 | 0 | None | -1 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1 | 10.1016/S0960-894X(00)80678-2 | ||||
| 10768308 | 14711 | 0 | None | 19 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 520 | 4 | 2 | 3 | 5.7 | O=C(Nc1ccccc1)NC1C(=O)N(c2ccccc2)c2ccccc2N(C2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)C1=O | 10.1021/jm990967h | ||
| CHEMBL120793 | 14711 | 0 | None | 19 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 520 | 4 | 2 | 3 | 5.7 | O=C(Nc1ccccc1)NC1C(=O)N(c2ccccc2)c2ccccc2N(C2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)C1=O | 10.1021/jm990967h | ||
| 11571140 | 71342 | 0 | None | -2 | 3 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 489 | 7 | 3 | 3 | 6.9 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL196517 | 71342 | 0 | None | -2 | 3 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 489 | 7 | 3 | 3 | 6.9 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL120528 | 206851 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O | 10.1021/jm0000416 | ||||
| CHEMBL1172253 | 206833 | 0 | None | -851 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| CHEMBL408083 | 210941 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 16100406 | 82797 | 0 | None | -281 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL218600 | 82797 | 0 | None | -281 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| 11512219 | 140093 | 0 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 468 | 7 | 3 | 3 | 6.8 | CNc1cccc(NC(=O)c2[nH]c(-c3ccccc3C)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL381452 | 140093 | 0 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 468 | 7 | 3 | 3 | 6.8 | CNc1cccc(NC(=O)c2[nH]c(-c3ccccc3C)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL3350665 | 209726 | 0 | None | 3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00174a016 | ||||
| 10459641 | 111733 | 0 | None | 26 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 529 | 9 | 3 | 4 | 5.4 | COc1ccc(CCNC(=O)C(C)(Cc2c[nH]c3ccccc23)NC(=O)OC2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)cc1 | 10.1021/jm00072a005 | ||
| CHEMBL329088 | 111733 | 0 | None | 26 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 529 | 9 | 3 | 4 | 5.4 | COc1ccc(CCNC(=O)C(C)(Cc2c[nH]c3ccccc23)NC(=O)OC2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)cc1 | 10.1021/jm00072a005 | ||
| 44344934 | 14285 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 615 | 8 | 2 | 6 | 4.2 | COc1ccc2c(c1)C(=O)CC(C(=O)NCC(=O)O)N(C(C)=O)C(CC13CC4CC(CC(C4)C1)C3)C(=O)N2Cc1ccccc1 | 10.1021/jm000960w | ||
| CHEMBL120043 | 14285 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 615 | 8 | 2 | 6 | 4.2 | COc1ccc2c(c1)C(=O)CC(C(=O)NCC(=O)O)N(C(C)=O)C(CC13CC4CC(CC(C4)C1)C3)C(=O)N2Cc1ccccc1 | 10.1021/jm000960w | ||
| 5311201 | 205653 | 30 | None | -234 | 6 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00053a022 | ||
| CHEMBL9387 | 205653 | 30 | None | -234 | 6 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00053a022 | ||
| 11527738 | 75621 | 0 | None | -12 | 4 | Dog | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL205455 | 75621 | 0 | None | -12 | 4 | Dog | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 9985866 | 114966 | 0 | None | - | 1 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 590 | 13 | 5 | 5 | 4.5 | C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL3351025 | 114966 | 0 | None | - | 1 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 590 | 13 | 5 | 5 | 4.5 | C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 44357058 | 164295 | 0 | None | 173 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 785 | 11 | 5 | 5 | 7.3 | O=C(O)c1cc(NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL421921 | 164295 | 0 | None | 173 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 785 | 11 | 5 | 5 | 7.3 | O=C(O)c1cc(NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 44329798 | 107050 | 0 | None | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 610 | 10 | 2 | 4 | 6.5 | CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL318852 | 107050 | 0 | None | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 610 | 10 | 2 | 4 | 6.5 | CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)O | 10.1021/jm00072a005 | ||
| 10370499 | 36706 | 0 | None | - | 1 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL145133 | 36706 | 0 | None | - | 1 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 45487002 | 195902 | 0 | None | 10 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 672 | 8 | 3 | 7 | 5.1 | O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| CHEMBL570520 | 195902 | 0 | None | 10 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 672 | 8 | 3 | 7 | 5.1 | O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| 11802624 | 101553 | 0 | None | 64 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 673 | 11 | 5 | 5 | 6.2 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067966 | 101553 | 0 | None | 64 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 673 | 11 | 5 | 5 | 6.2 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL301810 | 101553 | 0 | None | 64 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 673 | 11 | 5 | 5 | 6.2 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 44328951 | 164034 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 533 | 5 | 2 | 4 | 3.8 | O=C(Nc1ccc(F)cc1)NC1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(c2ccccc2F)C1=O | 10.1016/S0960-894X(96)00613-0 | ||
| CHEMBL421575 | 164034 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 533 | 5 | 2 | 4 | 3.8 | O=C(Nc1ccc(F)cc1)NC1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(c2ccccc2F)C1=O | 10.1016/S0960-894X(96)00613-0 | ||
| CHEMBL1172252 | 206832 | 0 | None | -173 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 11542079 | 71363 | 0 | None | -2 | 3 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 483 | 7 | 3 | 3 | 6.5 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL196580 | 71363 | 0 | None | -2 | 3 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 483 | 7 | 3 | 3 | 6.5 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 44344933 | 167866 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 599 | 7 | 2 | 5 | 4.5 | CC(=O)N1C(C(=O)NCC(=O)O)CC(=O)c2cc(C)ccc2N(Cc2ccccc2)C(=O)C1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL434988 | 167866 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 599 | 7 | 2 | 5 | 4.5 | CC(=O)N1C(C(=O)NCC(=O)O)CC(=O)c2cc(C)ccc2N(Cc2ccccc2)C(=O)C1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 16731712 | 85000 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 434 | 5 | 2 | 4 | 4.2 | CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226570 | 85000 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 434 | 5 | 2 | 4 | 4.2 | CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 44351414 | 116363 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 634 | 9 | 3 | 6 | 5.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2)C[C@@H]1CC(=O)O | 10.1021/jm970439a | ||
| CHEMBL338252 | 116363 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 634 | 9 | 3 | 6 | 5.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2)C[C@@H]1CC(=O)O | 10.1021/jm970439a | ||
| 90663557 | 106202 | 0 | None | -6165 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1152 | 31 | 11 | 13 | 2.0 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| CHEMBL3143672 | 106202 | 0 | None | -6165 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1152 | 31 | 11 | 13 | 2.0 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| 118719252 | 114958 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 501 | 8 | 3 | 3 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)O[C@H]1CC2CCC1(C)C2(C)C)C(=O)NCCc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL3351016 | 114958 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 501 | 8 | 3 | 3 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)O[C@H]1CC2CCC1(C)C2(C)C)C(=O)NCCc1ccccc1 | 10.1021/jm00087a011 | ||
| 11362975 | 81130 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 452 | 4 | 1 | 6 | 4.3 | O=C(c1cc2ccccc2cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL216134 | 81130 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 452 | 4 | 1 | 6 | 4.3 | O=C(c1cc2ccccc2cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 16090651 | 141406 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 2.7 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| CHEMBL387194 | 141406 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 2.7 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| 11178846 | 168388 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 468 | 5 | 1 | 7 | 4.4 | O=C(c1ccc(-c2ccco2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL438984 | 168388 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 468 | 5 | 1 | 7 | 4.4 | O=C(c1ccc(-c2ccco2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 9870515 | 12140 | 0 | None | 63 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 498 | 7 | 4 | 3 | 6.1 | O=C(O)c1cc(NC(=O)c2cc(-c3ccccc3)[nH]c2CC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1184696 | 12140 | 0 | None | 63 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 498 | 7 | 4 | 3 | 6.1 | O=C(O)c1cc(NC(=O)c2cc(-c3ccccc3)[nH]c2CC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067955 | 12140 | 0 | None | 63 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 498 | 7 | 4 | 3 | 6.1 | O=C(O)c1cc(NC(=O)c2cc(-c3ccccc3)[nH]c2CC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 46235271 | 73286 | 2 | None | -2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL2017835 | 73286 | 2 | None | -2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| 45486971 | 195666 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 660 | 9 | 3 | 7 | 6.5 | O=C(N[C@H](C(=O)O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL569018 | 195666 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 660 | 9 | 3 | 7 | 6.5 | O=C(N[C@H](C(=O)O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 45486974 | 196003 | 0 | None | -50 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 580 | 7 | 3 | 7 | 4.8 | C[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)[C@@H](O)c1cccc(Br)c1 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL571206 | 196003 | 0 | None | -50 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 580 | 7 | 3 | 7 | 4.8 | C[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)[C@@H](O)c1cccc(Br)c1 | 10.1016/j.bmcl.2009.09.064 | ||
| 44417439 | 81229 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 509 | 7 | 2 | 7 | 3.4 | O=C(C1=C(NS(=O)(=O)c2cccc3nsnc23)CC(NCc2ccccc2)C=C1)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL216360 | 81229 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 509 | 7 | 2 | 7 | 3.4 | O=C(C1=C(NS(=O)(=O)c2cccc3nsnc23)CC(NCc2ccccc2)C=C1)N1CCCCC1 | 10.1021/jm060590x | ||
| 16090796 | 140936 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 464 | 4 | 1 | 6 | 4.3 | CC1CC(C)CN(C(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cccc3nsnc23)C1 | 10.1021/jm060590x | ||
| CHEMBL384387 | 140936 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 464 | 4 | 1 | 6 | 4.3 | CC1CC(C)CN(C(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cccc3nsnc23)C1 | 10.1021/jm060590x | ||
| 11431264 | 141173 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 466 | 5 | 2 | 7 | 3.0 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCC(CO)CC1 | 10.1021/jm060590x | ||
| CHEMBL385734 | 141173 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 466 | 5 | 2 | 7 | 3.0 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCC(CO)CC1 | 10.1021/jm060590x | ||
| 9890720 | 167894 | 0 | None | 2 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 466 | 6 | 3 | 2 | 7.3 | O=C(O)c1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)c1 | 10.1021/jm049069y | ||
| CHEMBL2067971 | 167894 | 0 | None | 2 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 466 | 6 | 3 | 2 | 7.3 | O=C(O)c1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)c1 | 10.1021/jm049069y | ||
| CHEMBL435127 | 167894 | 0 | None | 2 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 466 | 6 | 3 | 2 | 7.3 | O=C(O)c1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)c1 | 10.1021/jm049069y | ||
| 10580492 | 14352 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 690 | 19 | 7 | 7 | 1.0 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/C(=O)O | 10.1021/jm0000416 | ||
| CHEMBL120257 | 14352 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 690 | 19 | 7 | 7 | 1.0 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/C(=O)O | 10.1021/jm0000416 | ||
| 10628696 | 23130 | 0 | None | - | 1 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 723 | 11 | 5 | 5 | 6.2 | O=C(NCC12CC3CC(CC(C3)C1)C2)C1C2c3ccccc3C(c3ccccc32)C1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(CO)cc(CO)c1 | 10.1021/jm00021a019 | ||
| CHEMBL133249 | 23130 | 0 | None | - | 1 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 723 | 11 | 5 | 5 | 6.2 | O=C(NCC12CC3CC(CC(C3)C1)C2)C1C2c3ccccc3C(c3ccccc32)C1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(CO)cc(CO)c1 | 10.1021/jm00021a019 | ||
| 44356430 | 114719 | 0 | None | 70 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 769 | 11 | 5 | 5 | 6.7 | O=C(O)c1cc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL334714 | 114719 | 0 | None | 70 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 769 | 11 | 5 | 5 | 6.7 | O=C(O)c1cc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 11712880 | 138381 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 490 | 6 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL378388 | 138381 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 490 | 6 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 11555166 | 139287 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 502 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)C[C@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL379902 | 139287 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 502 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)C[C@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 10817243 | 113005 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 591 | 7 | 2 | 4 | 6.6 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL332128 | 113005 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 591 | 7 | 2 | 4 | 6.6 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| 11802624 | 101553 | 0 | None | 64 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 673 | 11 | 5 | 5 | 6.2 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL2067966 | 101553 | 0 | None | 64 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 673 | 11 | 5 | 5 | 6.2 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL301810 | 101553 | 0 | None | 64 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 673 | 11 | 5 | 5 | 6.2 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| 9832467 | 143749 | 0 | None | -15 | 5 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 477 | 7 | 3 | 4 | 5.9 | O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL390519 | 143749 | 0 | None | -15 | 5 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 477 | 7 | 3 | 4 | 5.9 | O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 10580234 | 98564 | 0 | None | 251 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]ccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL280248 | 98564 | 0 | None | 251 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]ccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| 10257865 | 206686 | 3 | None | -2 | 5 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL99939 | 206686 | 3 | None | -2 | 5 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1021/jm00072a005 | ||
| 11613212 | 71742 | 0 | None | -1 | 3 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 513 | 7 | 3 | 4 | 6.4 | Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(COC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| CHEMBL197780 | 71742 | 0 | None | -1 | 3 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 513 | 7 | 3 | 4 | 6.4 | Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(COC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| 44408525 | 168850 | 0 | None | -56 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1075 | 30 | 12 | 14 | 1.5 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL442483 | 168850 | 0 | None | -56 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1075 | 30 | 12 | 14 | 1.5 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| 10430432 | 18622 | 0 | None | -25703 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 389 | 5 | 1 | 4 | 4.2 | CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1 | 10.1021/jm950423p | ||
| CHEMBL127969 | 18622 | 0 | None | -25703 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 389 | 5 | 1 | 4 | 4.2 | CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1 | 10.1021/jm950423p | ||
| 9890720 | 167894 | 0 | None | 2 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 466 | 6 | 3 | 2 | 7.3 | O=C(O)c1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)c1 | 10.1021/jm0490686 | ||
| CHEMBL2067971 | 167894 | 0 | None | 2 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 466 | 6 | 3 | 2 | 7.3 | O=C(O)c1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)c1 | 10.1021/jm0490686 | ||
| CHEMBL435127 | 167894 | 0 | None | 2 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 466 | 6 | 3 | 2 | 7.3 | O=C(O)c1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)c1 | 10.1021/jm0490686 | ||
| 10099504 | 206462 | 0 | None | 14 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 568 | 10 | 2 | 4 | 5.8 | CC(Cc1cccc2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL98516 | 206462 | 0 | None | 14 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 568 | 10 | 2 | 4 | 5.8 | CC(Cc1cccc2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1021/jm00072a005 | ||
| 101629632 | 114954 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 461 | 8 | 3 | 3 | 5.1 | C[C@@H]1CCCC[C@H]1OC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL3351012 | 114954 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 461 | 8 | 3 | 3 | 5.1 | C[C@@H]1CCCC[C@H]1OC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1021/jm00087a011 | ||
| 10794888 | 164689 | 0 | None | 15 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 707 | 10 | 4 | 4 | 6.9 | O=C(O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 | 10.1021/jm00021a019 | ||
| CHEMBL422981 | 164689 | 0 | None | 15 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 707 | 10 | 4 | 4 | 6.9 | O=C(O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 | 10.1021/jm00021a019 | ||
| 118719250 | 114956 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 543 | 10 | 4 | 4 | 4.8 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm00087a011 | ||
| CHEMBL3351014 | 114956 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 543 | 10 | 4 | 4 | 4.8 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm00087a011 | ||
| 10531553 | 116117 | 0 | None | 31 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 595 | 7 | 3 | 4 | 4.0 | O=C(O)CNC(=O)[C@@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 | 10.1021/jm00021a019 | ||
| CHEMBL336896 | 116117 | 0 | None | 31 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 595 | 7 | 3 | 4 | 4.0 | O=C(O)CNC(=O)[C@@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 | 10.1021/jm00021a019 | ||
| 10077166 | 99459 | 0 | None | 75 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL286247 | 99459 | 0 | None | 75 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 44280157 | 155176 | 0 | None | 75 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL405468 | 155176 | 0 | None | 75 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 44351477 | 116334 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 569 | 7 | 3 | 4 | 5.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CC(c2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338072 | 116334 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 569 | 7 | 3 | 4 | 5.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CC(c2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44351469 | 116422 | 0 | None | -2 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 603 | 7 | 3 | 4 | 6.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CC(c2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338526 | 116422 | 0 | None | -2 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 603 | 7 | 3 | 4 | 6.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CC(c2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm800174p | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm800174p | ||
| CHEMBL3351055 | 209783 | 0 | None | 70 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)c1ccccc1 | 10.1021/jm00053a022 | ||||
| 44329798 | 107050 | 0 | None | -1 | 5 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 610 | 10 | 2 | 4 | 6.5 | CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL318852 | 107050 | 0 | None | -1 | 5 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 610 | 10 | 2 | 4 | 6.5 | CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)O | 10.1021/jm00072a005 | ||
| 10482868 | 106907 | 0 | None | 2 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 557 | 10 | 3 | 4 | 5.2 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL317999 | 106907 | 0 | None | 2 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 557 | 10 | 3 | 4 | 5.2 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL353862 | 209971 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1 | 10.1016/S0960-894X(00)80678-2 | ||||
| 44580901 | 168889 | 0 | None | -3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 843 | 12 | 6 | 11 | 2.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL442943 | 168889 | 0 | None | -3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 843 | 12 | 6 | 11 | 2.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| 9853654 | 22573 | 37 | None | 31 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL1328 | 22573 | 37 | None | 31 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL3351052 | 209780 | 0 | None | 14 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CN(C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C1CCCCC1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||||
| CHEMBL2370437 | 208095 | 0 | None | 10 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00174a016 | ||||
| 11571166 | 140770 | 0 | None | -1 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 497 | 7 | 3 | 3 | 6.8 | Cc1cccc(C)c1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL383386 | 140770 | 0 | None | -1 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 497 | 7 | 3 | 3 | 6.8 | Cc1cccc(C)c1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 46235271 | 73286 | 2 | None | -2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL2017835 | 73286 | 2 | None | -2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| 73354642 | 89014 | 0 | None | -2 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 646 | 11 | 7 | 6 | 1.6 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL2371225 | 89014 | 0 | None | -2 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 646 | 11 | 7 | 6 | 1.6 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| 11583614 | 165563 | 0 | None | - | 1 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 469 | 6 | 3 | 3 | 6.1 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL426102 | 165563 | 0 | None | - | 1 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 469 | 6 | 3 | 3 | 6.1 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL431676 | 211869 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)O | 10.1021/jm0000416 | ||||
| 44387568 | 61863 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm0000416 | ||
| CHEMBL177799 | 61863 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm0000416 | ||
| 5311201 | 205653 | 30 | None | -234 | 6 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL9387 | 205653 | 30 | None | -234 | 6 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1016/s0960-894x(98)00231-5 | ||
| 5311201 | 205653 | 30 | None | -234 | 6 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970439a | ||
| CHEMBL9387 | 205653 | 30 | None | -234 | 6 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970439a | ||
| CHEMBL208479 | 207445 | 0 | None | -5 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| CHEMBL218763 | 207644 | 0 | None | -15 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 73347063 | 89010 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 674 | 11 | 7 | 6 | 2.4 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL2371221 | 89010 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 674 | 11 | 7 | 6 | 2.4 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| 10327028 | 89011 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL2371222 | 89011 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| 10480793 | 114913 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL3350395 | 114913 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 10747623 | 168903 | 0 | None | 29 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 746 | 12 | 6 | 5 | 6.1 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCCc2c[nH]c3ccccc23)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL443028 | 168903 | 0 | None | 29 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 746 | 12 | 6 | 5 | 6.1 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCCc2c[nH]c3ccccc23)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 11656338 | 75577 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 504 | 7 | 2 | 5 | 5.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CO)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL205198 | 75577 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 504 | 7 | 2 | 5 | 5.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CO)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 10603971 | 101131 | 0 | None | 208 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 624 | 11 | 6 | 5 | 5.2 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL298861 | 101131 | 0 | None | 208 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 624 | 11 | 6 | 5 | 5.2 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| 11802426 | 99806 | 0 | None | 50 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 8 | 3 | 5 | 6.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL289021 | 99806 | 0 | None | 50 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 8 | 3 | 5 | 6.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 44351445 | 116421 | 0 | None | -1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 654 | 8 | 3 | 6 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338525 | 116421 | 0 | None | -1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 654 | 8 | 3 | 6 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 118719253 | 114961 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 531 | 9 | 4 | 4 | 5.1 | CC1(C)C2CCC1(C)C(OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)N[C@H](CO)Cc1ccccc1)C2 | 10.1021/jm00087a011 | ||
| CHEMBL3351019 | 114961 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 531 | 9 | 4 | 4 | 5.1 | CC1(C)C2CCC1(C)C(OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)N[C@H](CO)Cc1ccccc1)C2 | 10.1021/jm00087a011 | ||
| 45255234 | 197348 | 0 | None | 15 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 584 | 8 | 3 | 7 | 4.9 | O=C(N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL585914 | 197348 | 0 | None | 15 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 584 | 8 | 3 | 7 | 4.9 | O=C(N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 45255234 | 197348 | 0 | None | 15 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 584 | 8 | 3 | 7 | 4.9 | O=C(N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| CHEMBL585914 | 197348 | 0 | None | 15 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 584 | 8 | 3 | 7 | 4.9 | O=C(N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| 11613982 | 139882 | 0 | None | 9 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 543 | 7 | 1 | 5 | 6.1 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N3CCCC3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL380907 | 139882 | 0 | None | 9 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 543 | 7 | 1 | 5 | 6.1 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N3CCCC3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 16090790 | 141071 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 470 | 4 | 1 | 6 | 4.4 | O=C(c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL385153 | 141071 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 470 | 4 | 1 | 6 | 4.4 | O=C(c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 10652140 | 101361 | 0 | None | 177 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 679 | 11 | 7 | 7 | 4.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL300456 | 101361 | 0 | None | 177 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 679 | 11 | 7 | 7 | 4.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| 44403984 | 12190 | 0 | None | 125 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 677 | 11 | 5 | 6 | 5.2 | CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc2[nH]cnc2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1185003 | 12190 | 0 | None | 125 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 677 | 11 | 5 | 6 | 5.2 | CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc2[nH]cnc2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067967 | 12190 | 0 | None | 125 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 677 | 11 | 5 | 6 | 5.2 | CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc2[nH]cnc2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 10819816 | 118223 | 0 | None | -7 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 998 | 28 | 10 | 13 | 0.4 | CSCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| CHEMBL341762 | 118223 | 0 | None | -7 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 998 | 28 | 10 | 13 | 0.4 | CSCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| 73354497 | 88941 | 0 | None | -7 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 998 | 28 | 10 | 13 | 0.4 | CSCC[C@@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCSC)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| CHEMBL2369817 | 88941 | 0 | None | -7 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 998 | 28 | 10 | 13 | 0.4 | CSCC[C@@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCSC)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| CHEMBL262172 | 208773 | 0 | None | -691 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 44408526 | 136409 | 0 | None | -1862 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1148 | 30 | 11 | 15 | 3.0 | CCCC[C@@H](C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O)N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL374325 | 136409 | 0 | None | -1862 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1148 | 30 | 11 | 15 | 3.0 | CCCC[C@@H](C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O)N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm050851n | ||
| 44346825 | 114262 | 0 | None | 77 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 623 | 8 | 3 | 4 | 4.7 | C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)O | 10.1021/jm00048a001 | ||
| CHEMBL333920 | 114262 | 0 | None | 77 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 623 | 8 | 3 | 4 | 4.7 | C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)O | 10.1021/jm00048a001 | ||
| 44215880 | 69050 | 0 | None | -3890 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 441 | 8 | 4 | 3 | 4.2 | O=C(Nc1ccccc1C(=O)NC(CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1 | 10.1021/jm200438b | ||
| CHEMBL1933100 | 69050 | 0 | None | -3890 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 441 | 8 | 4 | 3 | 4.2 | O=C(Nc1ccccc1C(=O)NC(CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1 | 10.1021/jm200438b | ||
| 44280199 | 99117 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 681 | 8 | 2 | 6 | 6.9 | COC(=O)[C@H]1C[C@@H](Oc2ccc(Cl)cc2Cl)CCN1C(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL283913 | 99117 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 681 | 8 | 2 | 6 | 6.9 | COC(=O)[C@H]1C[C@@H](Oc2ccc(Cl)cc2Cl)CCN1C(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1016/s0960-894x(98)00231-5 | ||
| 44347144 | 112554 | 0 | None | 12 | 2 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 512 | 6 | 2 | 4 | 4.0 | COC(=O)CNC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3 | 10.1021/jm00048a001 | ||
| CHEMBL331177 | 112554 | 0 | None | 12 | 2 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 512 | 6 | 2 | 4 | 4.0 | COC(=O)CNC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3 | 10.1021/jm00048a001 | ||
| 44342477 | 110021 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 588 | 8 | 3 | 6 | 3.9 | COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@@H](NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CCCN2C1=O | 10.1021/jm9703247 | ||
| CHEMBL325070 | 110021 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 588 | 8 | 3 | 6 | 3.9 | COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@@H](NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CCCN2C1=O | 10.1021/jm9703247 | ||
| 11556194 | 195872 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 598 | 8 | 3 | 7 | 5.4 | C[C@H](c1ccc(Cl)c(Cl)c1)[C@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL570297 | 195872 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 598 | 8 | 3 | 7 | 5.4 | C[C@H](c1ccc(Cl)c(Cl)c1)[C@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O | 10.1016/j.bmcl.2009.09.064 | ||
| 45486958 | 195901 | 0 | None | 19 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 8 | 3 | 7 | 3.6 | O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL570518 | 195901 | 0 | None | 19 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 8 | 3 | 7 | 3.6 | O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 11420366 | 79914 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 486 | 6 | 1 | 7 | 4.4 | O=C(c1ccc(OC2CCCC2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL214277 | 79914 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 486 | 6 | 1 | 7 | 4.4 | O=C(c1ccc(OC2CCCC2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 16090788 | 80187 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 478 | 5 | 1 | 6 | 4.8 | O=C(c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL215111 | 80187 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 478 | 5 | 1 | 6 | 4.8 | O=C(c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 11316813 | 81705 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 447 | 5 | 1 | 8 | 3.0 | O=C(c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL216707 | 81705 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 447 | 5 | 1 | 8 | 3.0 | O=C(c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 16090685 | 96618 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 558 | 4 | 1 | 6 | 4.6 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc(Br)c2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL267290 | 96618 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 558 | 4 | 1 | 6 | 4.6 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc(Br)c2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 11293780 | 141087 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 4 | 1 | 6 | 2.9 | C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1021/jm060590x | ||
| CHEMBL385285 | 141087 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 4 | 1 | 6 | 2.9 | C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1021/jm060590x | ||
| 11576933 | 12147 | 0 | None | 19 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 7 | 4 | 4 | 5.5 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccccc3)nc2CC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1184725 | 12147 | 0 | None | 19 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 7 | 4 | 4 | 5.5 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccccc3)nc2CC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067957 | 12147 | 0 | None | 19 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 7 | 4 | 4 | 5.5 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccccc3)nc2CC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 19043361 | 4536 | 0 | None | -162 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 6.2 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2cc(Cl)c(Cl)cc21 | 10.1016/0960-894X(95)00528-2 | ||
| CHEMBL102867 | 4536 | 0 | None | -162 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 6.2 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2cc(Cl)c(Cl)cc21 | 10.1016/0960-894X(95)00528-2 | ||
| 45486969 | 195784 | 0 | None | -7 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 598 | 8 | 3 | 7 | 5.4 | C[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL569849 | 195784 | 0 | None | -7 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 598 | 8 | 3 | 7 | 5.4 | C[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O | 10.1016/j.bmcl.2009.09.064 | ||
| 11584582 | 197180 | 0 | None | -19 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 530 | 7 | 2 | 6 | 4.8 | C[C@@H](CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL584063 | 197180 | 0 | None | -19 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 530 | 7 | 2 | 6 | 4.8 | C[C@@H](CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 | 10.1016/j.bmcl.2009.09.064 | ||
| 25033153 | 94072 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 1 | 6 | 4.2 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1c(Cl)nc2sccn12)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL251684 | 94072 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 1 | 6 | 4.2 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1c(Cl)nc2sccn12)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 25033227 | 154185 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 486 | 5 | 1 | 6 | 3.7 | COC(=O)c1sccc1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL399918 | 154185 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 486 | 5 | 1 | 6 | 3.7 | COC(=O)c1sccc1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 16090658 | 140974 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 4 | 1 | 6 | 3.3 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nonc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL384573 | 140974 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 4 | 1 | 6 | 3.3 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nonc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 16090792 | 141292 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 4 | 1 | 6 | 3.0 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCC1 | 10.1021/jm060590x | ||
| CHEMBL386436 | 141292 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 4 | 1 | 6 | 3.0 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCC1 | 10.1021/jm060590x | ||
| 25033066 | 95446 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 462 | 4 | 2 | 4 | 3.8 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2[nH]cnc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL259224 | 95446 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 462 | 4 | 2 | 4 | 3.8 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2[nH]cnc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| 16090658 | 140974 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 4 | 1 | 6 | 3.3 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nonc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL384573 | 140974 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 4 | 1 | 6 | 3.3 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nonc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| 16732750 | 143439 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 531 | 7 | 2 | 5 | 4.2 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)N2CCCC2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1021/jm070139l | ||
| CHEMBL390275 | 143439 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 531 | 7 | 2 | 5 | 4.2 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)N2CCCC2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1021/jm070139l | ||
| 44580900 | 187846 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1057 | 23 | 8 | 14 | 2.6 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL502398 | 187846 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1057 | 23 | 8 | 14 | 2.6 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| 10771043 | 25933 | 0 | None | 61 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 707 | 10 | 4 | 4 | 6.9 | O=C(O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm00021a019 | ||
| CHEMBL135658 | 25933 | 0 | None | 61 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 707 | 10 | 4 | 4 | 6.9 | O=C(O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm00021a019 | ||
| 11628273 | 139591 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 559 | 7 | 1 | 6 | 5.3 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N3CCOCC3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL380193 | 139591 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 559 | 7 | 1 | 6 | 5.3 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N3CCOCC3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 16733791 | 13056 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 572 | 8 | 2 | 7 | 4.9 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3ncn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL1190963 | 13056 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 572 | 8 | 2 | 7 | 4.9 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3ncn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL541904 | 13056 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 572 | 8 | 2 | 7 | 4.9 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3ncn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 44331524 | 163103 | 0 | None | 13 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 530 | 8 | 2 | 3 | 6.5 | CC(CC1CCCC1)N1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(C(C)CC2CCCC2)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL420459 | 163103 | 0 | None | 13 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 530 | 8 | 2 | 3 | 6.5 | CC(CC1CCCC1)N1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(C(C)CC2CCCC2)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| 49798104 | 10729 | 0 | None | 7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1381 | 39 | 14 | 13 | 3.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||
| CHEMBL1172244 | 10729 | 0 | None | 7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1381 | 39 | 14 | 13 | 3.5 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||
| CHEMBL3350335 | 209718 | 0 | None | 245 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||||
| 10819755 | 164879 | 0 | None | -52480 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 976 | 28 | 9 | 11 | 1.6 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| CHEMBL423907 | 164879 | 0 | None | -52480 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 976 | 28 | 9 | 11 | 1.6 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| 44344617 | 113681 | 0 | None | - | 1 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 633 | 8 | 2 | 5 | 5.2 | CCC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL332949 | 113681 | 0 | None | - | 1 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 633 | 8 | 2 | 5 | 5.2 | CCC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 14802522 | 59245 | 0 | None | - | 1 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL171806 | 59245 | 0 | None | - | 1 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 3476 | 1368 | 8 | None | -117 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm200438b | ||
| 59751 | 1368 | 8 | None | -117 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm200438b | ||
| 878 | 1368 | 8 | None | -117 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm200438b | ||
| CHEMBL39263 | 1368 | 8 | None | -117 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 10.1021/jm200438b | ||
| 52949124 | 861 | 2 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL3351058 | 209784 | 0 | None | 83 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C1CCCCC1 | 10.1021/jm00053a022 | ||||
| 10676196 | 118722 | 0 | None | 234 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 699 | 11 | 5 | 5 | 6.0 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC2CCCCC2)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL343515 | 118722 | 0 | None | 234 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 699 | 11 | 5 | 5 | 6.0 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC2CCCCC2)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 44351444 | 116373 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 622 | 8 | 3 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338300 | 116373 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 622 | 8 | 3 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44356666 | 168053 | 0 | None | 16 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 799 | 11 | 3 | 11 | 5.2 | O=C(NCC12CC3CC(CC(C3)C1)C2)C1C2c3ccccc3C(c3ccccc32)C1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-n2cnnn2)cc(-n2cnnn2)c1 | 10.1021/jm00021a019 | ||
| CHEMBL436187 | 168053 | 0 | None | 16 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 799 | 11 | 3 | 11 | 5.2 | O=C(NCC12CC3CC(CC(C3)C1)C2)C1C2c3ccccc3C(c3ccccc32)C1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-n2cnnn2)cc(-n2cnnn2)c1 | 10.1021/jm00021a019 | ||
| 11571142 | 135270 | 0 | None | -10 | 3 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 489 | 7 | 3 | 3 | 6.7 | CC1(c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)CCCCC1 | 10.1021/jm0490686 | ||
| CHEMBL373050 | 135270 | 0 | None | -10 | 3 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 489 | 7 | 3 | 3 | 6.7 | CC1(c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)CCCCC1 | 10.1021/jm0490686 | ||
| CHEMBL3351060 | 209785 | 0 | None | -20 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CN(C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)c1ccccc1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||||
| CHEMBL379405 | 210508 | 0 | None | -10 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 44408411 | 160751 | 0 | None | -3548 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1242 | 31 | 11 | 15 | 4.4 | CCCC[C@@H](C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O)N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL412331 | 160751 | 0 | None | -3548 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1242 | 31 | 11 | 15 | 4.4 | CCCC[C@@H](C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O)N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm050851n | ||
| 10645976 | 16402 | 0 | None | -23988 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 423 | 5 | 1 | 4 | 4.9 | CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1 | 10.1021/jm950423p | ||
| CHEMBL124015 | 16402 | 0 | None | -23988 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 423 | 5 | 1 | 4 | 4.9 | CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1 | 10.1021/jm950423p | ||
| 10555325 | 12825 | 0 | None | 45 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 585 | 7 | 2 | 5 | 4.2 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL118930 | 12825 | 0 | None | 45 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 585 | 7 | 2 | 5 | 4.2 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 44280162 | 98984 | 0 | None | 21 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL283040 | 98984 | 0 | None | 21 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 10747345 | 116464 | 0 | None | 6 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 707 | 10 | 4 | 4 | 6.9 | O=C(O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00021a019 | ||
| CHEMBL338728 | 116464 | 0 | None | 6 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 707 | 10 | 4 | 4 | 6.9 | O=C(O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00021a019 | ||
| 10327028 | 89011 | 0 | None | -1 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL2371222 | 89011 | 0 | None | -1 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| 44387568 | 61863 | 0 | None | -1 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm0000416 | ||
| CHEMBL177799 | 61863 | 0 | None | -1 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm0000416 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm800174p | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm800174p | ||
| CHEMBL1172251 | 206831 | 0 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 10257865 | 206686 | 3 | None | -3 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL99939 | 206686 | 3 | None | -3 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1021/jm00072a005 | ||
| 10793952 | 102295 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 621 | 8 | 3 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL30524 | 102295 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 621 | 8 | 3 | 5 | 5.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 44351444 | 116373 | 0 | None | 1 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 622 | 8 | 3 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338300 | 116373 | 0 | None | 1 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 622 | 8 | 3 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL1172428 | 206834 | 0 | None | -47 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 57395574 | 68049 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 817 | 26 | 7 | 10 | 2.8 | CCCCc1cn(CCCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)nn1 | 10.1016/j.bmc.2011.08.053 | ||
| CHEMBL1917060 | 68049 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 817 | 26 | 7 | 10 | 2.8 | CCCCc1cn(CCCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)nn1 | 10.1016/j.bmc.2011.08.053 | ||
| 11562579 | 132210 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 513 | 8 | 3 | 4 | 6.5 | COc1ccc(NC(=O)c2[nH]c(-c3ccccc3C)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm0490686 | ||
| CHEMBL369974 | 132210 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 513 | 8 | 3 | 4 | 6.5 | COc1ccc(NC(=O)c2[nH]c(-c3ccccc3C)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm0490686 | ||
| 9983949 | 205997 | 0 | None | 23 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 513 | 9 | 3 | 3 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCCc1ccccc1 | 10.1021/jm00072a005 | ||
| CHEMBL95793 | 205997 | 0 | None | 23 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 513 | 9 | 3 | 3 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCCc1ccccc1 | 10.1021/jm00072a005 | ||
| 10460621 | 106681 | 0 | None | 8 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 567 | 8 | 3 | 3 | 6.7 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)c(Cl)c1 | 10.1021/jm00072a005 | ||
| CHEMBL316462 | 106681 | 0 | None | 8 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 567 | 8 | 3 | 3 | 6.7 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)c(Cl)c1 | 10.1021/jm00072a005 | ||
| 11539356 | 71321 | 0 | None | -8 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 7 | 3 | 3 | 5.6 | CC(C)c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL196441 | 71321 | 0 | None | -8 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 7 | 3 | 3 | 5.6 | CC(C)c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 10841267 | 170942 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 599 | 7 | 2 | 5 | 4.6 | CC(=O)N1[C@H](C(=O)N[C@@H](C)C(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL446414 | 170942 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 599 | 7 | 2 | 5 | 4.6 | CC(=O)N1[C@H](C(=O)N[C@@H](C)C(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 10626664 | 109885 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 | 10.1021/jm9703247 | ||
| CHEMBL324294 | 109885 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 | 10.1021/jm9703247 | ||
| CHEMBL120632 | 206853 | 30 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||||
| 9832467 | 143749 | 0 | None | -22 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 477 | 7 | 3 | 4 | 5.9 | O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm070139l | ||
| CHEMBL390519 | 143749 | 0 | None | -22 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 477 | 7 | 3 | 4 | 5.9 | O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm070139l | ||
| CHEMBL120632 | 206853 | 30 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm9603072 | ||||
| 44351455 | 116306 | 0 | None | 1 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 604 | 8 | 3 | 6 | 4.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL337934 | 116306 | 0 | None | 1 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 604 | 8 | 3 | 6 | 4.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL1172429 | 206835 | 0 | None | -120 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 9957602 | 154837 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.5 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL40352 | 154837 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.5 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00087a011 | ||
| 44346908 | 16263 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 526 | 6 | 2 | 4 | 4.4 | COC(=O)[C@H](C)NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3 | 10.1021/jm00048a001 | ||
| CHEMBL123344 | 16263 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 526 | 6 | 2 | 4 | 4.4 | COC(=O)[C@H](C)NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3 | 10.1021/jm00048a001 | ||
| 44346909 | 114072 | 0 | None | 10 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 498 | 6 | 3 | 3 | 3.9 | O=C(O)CNC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3 | 10.1021/jm00048a001 | ||
| CHEMBL333758 | 114072 | 0 | None | 10 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 498 | 6 | 3 | 3 | 3.9 | O=C(O)CNC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3 | 10.1021/jm00048a001 | ||
| 11705988 | 165788 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 7 | 2 | 6 | 4.4 | CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL427387 | 165788 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 7 | 2 | 6 | 4.4 | CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 44346355 | 157313 | 0 | None | -30 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1260 | 26 | 13 | 15 | 1.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||
| CHEMBL408389 | 157313 | 0 | None | -30 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1260 | 26 | 13 | 15 | 1.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||
| 16090649 | 82047 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 4 | 1 | 6 | 3.9 | C[C@H]1C=C[C@@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1021/jm060590x | ||
| CHEMBL217648 | 82047 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 4 | 1 | 6 | 3.9 | C[C@H]1C=C[C@@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1021/jm060590x | ||
| 9936141 | 12141 | 0 | None | 12 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 510 | 7 | 4 | 3 | 7.0 | O=C(O)c1cc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1184700 | 12141 | 0 | None | 12 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 510 | 7 | 4 | 3 | 7.0 | O=C(O)c1cc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067956 | 12141 | 0 | None | 12 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 510 | 7 | 4 | 3 | 7.0 | O=C(O)c1cc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 11605951 | 12165 | 0 | None | 25 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 512 | 8 | 4 | 3 | 6.5 | O=C(O)c1cc(NC(=O)c2cc(-c3ccccc3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1184851 | 12165 | 0 | None | 25 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 512 | 8 | 4 | 3 | 6.5 | O=C(O)c1cc(NC(=O)c2cc(-c3ccccc3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067961 | 12165 | 0 | None | 25 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 512 | 8 | 4 | 3 | 6.5 | O=C(O)c1cc(NC(=O)c2cc(-c3ccccc3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 44445282 | 94068 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 481 | 5 | 1 | 5 | 4.1 | Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL251651 | 94068 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 481 | 5 | 1 | 5 | 4.1 | Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.087 | ||
| 16090700 | 82037 | 0 | None | -10 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 541 | 8 | 4 | 4 | 4.2 | O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cc2ccccc2[nH]1 | 10.1021/jm060590x | ||
| CHEMBL217595 | 82037 | 0 | None | -10 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 541 | 8 | 4 | 4 | 4.2 | O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cc2ccccc2[nH]1 | 10.1021/jm060590x | ||
| 16090702 | 165634 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 4 | 2 | 3 | 4.4 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cc2ccccc2[nH]1)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL426524 | 165634 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 4 | 2 | 3 | 4.4 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cc2ccccc2[nH]1)N1CCCCC1 | 10.1021/jm060590x | ||
| 25033064 | 95559 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 477 | 4 | 1 | 6 | 3.2 | Cn1nnc2c(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)cccc21 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL259751 | 95559 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 477 | 4 | 1 | 6 | 3.2 | Cn1nnc2c(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)cccc21 | 10.1016/j.bmc.2008.01.059 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970439a | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm970439a | ||
| 118718859 | 114907 | 1 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 616 | 12 | 5 | 5 | 5.2 | CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1021/jm00087a011 | ||
| CHEMBL3350364 | 114907 | 1 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 616 | 12 | 5 | 5 | 5.2 | CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1021/jm00087a011 | ||
| 44346326 | 112827 | 0 | None | 46 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 588 | 5 | 2 | 7 | 6.5 | O=C(Nc1cccc(C2N=NN=N2)c1)NC1C(=O)N(c2ccccc2)c2ccccc2N(C2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)C1=O | 10.1021/jm990967h | ||
| CHEMBL331688 | 112827 | 0 | None | 46 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 588 | 5 | 2 | 7 | 6.5 | O=C(Nc1cccc(C2N=NN=N2)c1)NC1C(=O)N(c2ccccc2)c2ccccc2N(C2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)C1=O | 10.1021/jm990967h | ||
| 10576324 | 113452 | 0 | None | 54 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 470 | 6 | 2 | 3 | 5.3 | CC(C)CC(C)N1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL332595 | 113452 | 0 | None | 54 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 470 | 6 | 2 | 3 | 5.3 | CC(C)CC(C)N1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL265595 | 208900 | 0 | None | 120 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O | 10.1021/jm0303103 | ||||
| CHEMBL411201 | 211115 | 0 | None | 3 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm0303103 | ||||
| CHEMBL407057 | 210878 | 0 | None | 120 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O | 10.1021/jm050921q | ||||
| 16732909 | 85018 | 0 | None | 2 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 532 | 8 | 2 | 5 | 5.1 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226673 | 85018 | 0 | None | 2 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 532 | 8 | 2 | 5 | 5.1 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 15755206 | 114964 | 0 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 614 | 11 | 5 | 5 | 5.0 | CC1(C)C2CCC1(C)[C@@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)/C=C/C(=O)O)c1ccccc1)C2 | 10.1021/jm00087a011 | ||
| CHEMBL3351023 | 114964 | 0 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 614 | 11 | 5 | 5 | 5.0 | CC1(C)C2CCC1(C)[C@@H](OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)/C=C/C(=O)O)c1ccccc1)C2 | 10.1021/jm00087a011 | ||
| 44356825 | 168057 | 0 | None | 1621 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 767 | 11 | 6 | 6 | 6.3 | O=C(O)c1cc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL436209 | 168057 | 0 | None | 1621 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 767 | 11 | 6 | 6 | 6.3 | O=C(O)c1cc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00053a022 | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00053a022 | ||
| 11547802 | 135467 | 0 | None | 177 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 497 | 8 | 3 | 3 | 6.4 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(CC(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL373168 | 135467 | 0 | None | 177 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 497 | 8 | 3 | 3 | 6.4 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(CC(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 9850043 | 112051 | 1 | None | 309 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL329984 | 112051 | 1 | None | 309 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O | 10.1016/S0960-894X(96)00544-6 | ||
| 9850043 | 112362 | 1 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL330977 | 112362 | 1 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 44356887 | 31087 | 0 | None | 776 | 2 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 757 | 11 | 5 | 6 | 6.7 | O=C(O)c1cc(NC(=O)[C@@H](Cc2ccsc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL140179 | 31087 | 0 | None | 776 | 2 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 757 | 11 | 5 | 6 | 6.7 | O=C(O)c1cc(NC(=O)[C@@H](Cc2ccsc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 10745516 | 14227 | 0 | None | 60 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 563 | 5 | 2 | 4 | 5.8 | CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL120015 | 14227 | 0 | None | 60 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 563 | 5 | 2 | 4 | 5.8 | CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)C2=O)c1 | 10.1021/jm990967h | ||
| 44331505 | 4272 | 0 | None | 25 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 450 | 8 | 2 | 3 | 4.6 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(CCC(C)C)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL101063 | 4272 | 0 | None | 25 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 450 | 8 | 2 | 3 | 4.6 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(CCC(C)C)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| 10256780 | 112169 | 0 | None | 234 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 540 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL330409 | 112169 | 0 | None | 234 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 540 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O | 10.1016/S0960-894X(96)00544-6 | ||
| 10603576 | 14331 | 0 | None | 19 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 594 | 8 | 2 | 7 | 5.6 | CC(C)Cn1nnc(-c2cccc(NC(=O)NC3C(=O)N(CCC(C)(C)C)c4ccccc4N(c4ccccc4)C3=O)c2)n1 | 10.1021/jm990967h | ||
| CHEMBL120168 | 14331 | 0 | None | 19 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 594 | 8 | 2 | 7 | 5.6 | CC(C)Cn1nnc(-c2cccc(NC(=O)NC3C(=O)N(CCC(C)(C)C)c4ccccc4N(c4ccccc4)C3=O)c2)n1 | 10.1021/jm990967h | ||
| 9914672 | 108042 | 0 | None | 31 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 521 | 5 | 2 | 4 | 3.7 | O=C(Nc1ccc(F)cc1)N[C@H]1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(C2CCCCC2)C1=O | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL320141 | 108042 | 0 | None | 31 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 521 | 5 | 2 | 4 | 3.7 | O=C(Nc1ccc(F)cc1)N[C@H]1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(C2CCCCC2)C1=O | 10.1016/j.bmc.2007.12.047 | ||
| 9914672 | 108042 | 0 | None | 31 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 521 | 5 | 2 | 4 | 3.7 | O=C(Nc1ccc(F)cc1)N[C@H]1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(C2CCCCC2)C1=O | 10.1016/S0960-894X(96)00613-0 | ||
| CHEMBL320141 | 108042 | 0 | None | 31 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 521 | 5 | 2 | 4 | 3.7 | O=C(Nc1ccc(F)cc1)N[C@H]1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(C2CCCCC2)C1=O | 10.1016/S0960-894X(96)00613-0 | ||
| 10699583 | 95951 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 664 | 19 | 6 | 7 | 1.0 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COC | 10.1021/jm0000416 | ||
| CHEMBL261934 | 95951 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 664 | 19 | 6 | 7 | 1.0 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COC | 10.1021/jm0000416 | ||
| 44331489 | 4195 | 0 | None | 32 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 493 | 9 | 2 | 4 | 4.7 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(CCC(C)C)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL100618 | 4195 | 0 | None | 32 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 493 | 9 | 2 | 4 | 4.7 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(CCC(C)C)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL333477 | 209636 | 0 | None | -19 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm0000416 | ||||
| 10795116 | 27692 | 0 | None | 602 | 2 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 743 | 11 | 5 | 5 | 6.7 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCc2ccc3ccccc3c2)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL137180 | 27692 | 0 | None | 602 | 2 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 743 | 11 | 5 | 5 | 6.7 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCc2ccc3ccccc3c2)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 11803482 | 116685 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 807 | 21 | 8 | 9 | 1.8 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O | 10.1021/jm0000416 | ||
| CHEMBL339421 | 116685 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 807 | 21 | 8 | 9 | 1.8 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O | 10.1021/jm0000416 | ||
| CHEMBL205965 | 207415 | 0 | None | 31 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 16732594 | 14237 | 0 | None | 2511 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 572 | 8 | 2 | 7 | 4.9 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc3c2cnn3CC(=O)O)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL1161950 | 14237 | 0 | None | 2511 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 572 | 8 | 2 | 7 | 4.9 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc3c2cnn3CC(=O)O)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL1200187 | 14237 | 0 | None | 2511 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 572 | 8 | 2 | 7 | 4.9 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc3c2cnn3CC(=O)O)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL3351053 | 209781 | 0 | None | 426 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||||
| 4627 | 807 | 44 | None | 1 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9703247 | ||||
| 864 | 807 | 44 | None | 1 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9703247 | ||||
| 9833444 | 807 | 44 | None | 1 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9703247 | ||||
| CHEMBL1121 | 807 | 44 | None | 1 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9703247 | ||||
| DB09142 | 807 | 44 | None | 1 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm9703247 | ||||
| 9850043 | 112362 | 1 | None | -1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL330977 | 112362 | 1 | None | -1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 10626579 | 15321 | 0 | None | 38 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 554 | 6 | 2 | 4 | 6.2 | CC(C)(C)CCN1C(=O)C(NC(=O)Nc2cccc(OC(F)(F)F)c2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL121703 | 15321 | 0 | None | 38 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 554 | 6 | 2 | 4 | 6.2 | CC(C)(C)CCN1C(=O)C(NC(=O)Nc2cccc(OC(F)(F)F)c2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| 10651325 | 13750 | 0 | None | 275 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 606 | 7 | 2 | 5 | 6.3 | CCOC(=O)c1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL119608 | 13750 | 0 | None | 275 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 606 | 7 | 2 | 5 | 6.3 | CCOC(=O)c1cccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm990967h | ||
| 44351491 | 116389 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 570 | 7 | 3 | 5 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338382 | 116389 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 570 | 7 | 3 | 5 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 10256428 | 114959 | 0 | None | - | 1 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL3351017 | 114959 | 0 | None | - | 1 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 11513177 | 72169 | 0 | None | -8 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 6.7 | O=C(O)c1cccc(NC(=O)c2[nH]c(C34CCC(CC3)CC4)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL199091 | 72169 | 0 | None | -8 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 6.7 | O=C(O)c1cccc(NC(=O)c2[nH]c(C34CCC(CC3)CC4)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 16731870 | 96936 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 490 | 8 | 2 | 4 | 5.6 | CC(C)CCN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL269790 | 96936 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 490 | 8 | 2 | 4 | 5.6 | CC(C)CCN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 136036821 | 95351 | 0 | None | 3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 602 | 9 | 2 | 7 | 5.6 | CC(C)(C)C(=O)CN1C(=O)N(CCCC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL258782 | 95351 | 0 | None | 3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 602 | 9 | 2 | 7 | 5.6 | CC(C)(C)C(=O)CN1C(=O)N(CCCC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| 10257865 | 206686 | 3 | None | -3 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL99939 | 206686 | 3 | None | -3 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1021/jm00072a005 | ||
| 90662930 | 106076 | 0 | None | -3981 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1073 | 29 | 11 | 11 | 2.6 | CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| CHEMBL3142366 | 106076 | 0 | None | -3981 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1073 | 29 | 11 | 11 | 2.6 | CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| CHEMBL2372623 | 208522 | 0 | None | -218 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 11664728 | 133885 | 0 | None | 10 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 482 | 7 | 3 | 2 | 7.1 | Cc1ccccc1-c1cc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL371750 | 133885 | 0 | None | 10 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 482 | 7 | 3 | 2 | 7.1 | Cc1ccccc1-c1cc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 15024387 | 114911 | 0 | None | - | 1 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 515 | 9 | 4 | 4 | 4.4 | O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm00087a011 | ||
| CHEMBL3350393 | 114911 | 0 | None | - | 1 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 515 | 9 | 4 | 4 | 4.4 | O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm00087a011 | ||
| 15513851 | 114447 | 0 | None | - | 1 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 603 | 7 | 2 | 5 | 4.3 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccc(F)cc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL334247 | 114447 | 0 | None | - | 1 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 603 | 7 | 2 | 5 | 4.3 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccc(F)cc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 10258121 | 98108 | 0 | None | -11 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 606 | 11 | 4 | 2 | 7.1 | CC(Cc1c[nH]c2ccccc12)(NC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccc1 | 10.1021/jm00072a005 | ||
| CHEMBL276676 | 98108 | 0 | None | -11 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 606 | 11 | 4 | 2 | 7.1 | CC(Cc1c[nH]c2ccccc12)(NC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccc1 | 10.1021/jm00072a005 | ||
| 10257865 | 206686 | 3 | None | -2 | 5 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL99939 | 206686 | 3 | None | -2 | 5 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1021/jm00072a005 | ||
| 10413618 | 201094 | 0 | None | - | 1 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL62205 | 201094 | 0 | None | - | 1 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1021/jm00087a011 | ||
| 44580901 | 168889 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 843 | 12 | 6 | 11 | 2.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL442943 | 168889 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 843 | 12 | 6 | 11 | 2.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| 46235271 | 73286 | 2 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL2017835 | 73286 | 2 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| 44346826 | 113302 | 0 | None | 69 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 595 | 7 | 3 | 4 | 3.9 | O=C(O)CNC(=O)[C@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3 | 10.1021/jm00048a001 | ||
| CHEMBL332510 | 113302 | 0 | None | 69 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 595 | 7 | 3 | 4 | 3.9 | O=C(O)CNC(=O)[C@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3 | 10.1021/jm00048a001 | ||
| 15513852 | 11072 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 603 | 7 | 2 | 5 | 4.3 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2cccc(F)c2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL117868 | 11072 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 603 | 7 | 2 | 5 | 4.3 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2cccc(F)c2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 15513857 | 114026 | 0 | None | - | 1 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 599 | 7 | 1 | 6 | 4.3 | COC(=O)CNC(=O)[C@@H]1CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@@H](CC23CC4CC(CC(C4)C2)C3)N1C(C)=O | 10.1021/jm000960w | ||
| CHEMBL333623 | 114026 | 0 | None | - | 1 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 599 | 7 | 1 | 6 | 4.3 | COC(=O)CNC(=O)[C@@H]1CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@@H](CC23CC4CC(CC(C4)C2)C3)N1C(C)=O | 10.1021/jm000960w | ||
| 9853654 | 22573 | 37 | None | 31 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80686-1 | ||
| CHEMBL1328 | 22573 | 37 | None | 31 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80686-1 | ||
| CHEMBL3142842 | 209379 | 0 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00174a016 | ||||
| 10581797 | 62899 | 0 | None | -9120 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 976 | 26 | 9 | 11 | 1.3 | CC[C@H](C)[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC | 10.1021/jm970477u | ||
| CHEMBL1791002 | 62899 | 0 | None | -9120 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 976 | 26 | 9 | 11 | 1.3 | CC[C@H](C)[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC | 10.1021/jm970477u | ||
| CHEMBL205306 | 207414 | 0 | None | -109 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 10071178 | 74131 | 1 | None | -501 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 427 | 7 | 4 | 3 | 3.8 | O=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1 | 10.1021/jm200438b | ||
| CHEMBL202861 | 74131 | 1 | None | -501 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 427 | 7 | 4 | 3 | 3.8 | O=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1 | 10.1021/jm200438b | ||
| 44580901 | 168889 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 843 | 12 | 6 | 11 | 2.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL442943 | 168889 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 843 | 12 | 6 | 11 | 2.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| 44332766 | 107837 | 0 | None | -48 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 474 | 6 | 2 | 3 | 5.1 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2cc(F)ccc21 | 10.1016/0960-894X(95)00528-2 | ||
| CHEMBL319795 | 107837 | 0 | None | -48 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 474 | 6 | 2 | 3 | 5.1 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2cc(F)ccc21 | 10.1016/0960-894X(95)00528-2 | ||
| 10794262 | 168052 | 0 | None | 6 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 645 | 10 | 4 | 4 | 4.8 | O=C(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00021a019 | ||
| CHEMBL436175 | 168052 | 0 | None | 6 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 645 | 10 | 4 | 4 | 4.8 | O=C(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00021a019 | ||
| 9919500 | 203207 | 1 | None | -7413 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 976 | 28 | 9 | 11 | 1.6 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| CHEMBL1161142 | 203207 | 1 | None | -7413 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 976 | 28 | 9 | 11 | 1.6 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| CHEMBL76248 | 203207 | 1 | None | -7413 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 976 | 28 | 9 | 11 | 1.6 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| 9919500 | 203207 | 1 | None | -7413 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 976 | 28 | 9 | 11 | 1.6 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| CHEMBL1161142 | 203207 | 1 | None | -7413 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 976 | 28 | 9 | 11 | 1.6 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| CHEMBL76248 | 203207 | 1 | None | -7413 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 976 | 28 | 9 | 11 | 1.6 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| 44329398 | 205944 | 0 | None | 12 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 543 | 10 | 3 | 4 | 4.8 | O=C(O)CN(CCc1ccccc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00072a005 | ||
| CHEMBL95461 | 205944 | 0 | None | 12 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 543 | 10 | 3 | 4 | 4.8 | O=C(O)CN(CCc1ccccc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00072a005 | ||
| CHEMBL332180 | 209629 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O | 10.1021/jm0000416 | ||||
| 10794634 | 112590 | 0 | None | -11220 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 677 | 19 | 7 | 7 | 0.3 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(N)=O | 10.1021/jm0000416 | ||
| CHEMBL331394 | 112590 | 0 | None | -11220 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 677 | 19 | 7 | 7 | 0.3 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(N)=O | 10.1021/jm0000416 | ||
| 73347063 | 89010 | 0 | None | -1 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 674 | 11 | 7 | 6 | 2.4 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL2371221 | 89010 | 0 | None | -1 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 674 | 11 | 7 | 6 | 2.4 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| 9939572 | 37243 | 0 | None | -21 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/0960-894X(96)00192-8 | ||
| CHEMBL14557 | 37243 | 0 | None | -21 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/0960-894X(96)00192-8 | ||
| CHEMBL2067949 | 37243 | 0 | None | -21 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 662 | 11 | 6 | 5 | 5.5 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1016/0960-894X(96)00192-8 | ||
| 44451522 | 157757 | 0 | None | 26 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 531 | 6 | 1 | 4 | 5.1 | Cc1cccc(NC(=O)CN2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(C3CCCCCC3)C2=O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL408915 | 157757 | 0 | None | 26 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 531 | 6 | 1 | 4 | 5.1 | Cc1cccc(NC(=O)CN2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(C3CCCCCC3)C2=O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL123056 | 206894 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC | 10.1021/jm0000416 | ||||
| 16732442 | 85055 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 504 | 7 | 2 | 5 | 4.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL227097 | 85055 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 504 | 7 | 2 | 5 | 4.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 16731711 | 85080 | 0 | None | 15 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 570 | 7 | 2 | 5 | 5.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C23CC4CC(CC(C4)C2)C3)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL227369 | 85080 | 0 | None | 15 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 570 | 7 | 2 | 5 | 5.8 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C23CC4CC(CC(C4)C2)C3)c2ccccc21 | 10.1021/jm070139l | ||
| 10390666 | 206554 | 0 | None | 17 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 485 | 7 | 3 | 3 | 5.3 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCc1ccccc1 | 10.1021/jm00072a005 | ||
| CHEMBL99076 | 206554 | 0 | None | 17 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 485 | 7 | 3 | 3 | 5.3 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCc1ccccc1 | 10.1021/jm00072a005 | ||
| 11567687 | 135401 | 0 | None | -1 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 407 | 6 | 3 | 3 | 4.8 | Cc1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL373125 | 135401 | 0 | None | -1 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 407 | 6 | 3 | 3 | 4.8 | Cc1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 11801718 | 99333 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 599 | 9 | 3 | 5 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL285419 | 99333 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 599 | 9 | 3 | 5 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 44351519 | 167943 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 620 | 8 | 3 | 6 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL435404 | 167943 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 620 | 8 | 3 | 6 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44351492 | 117409 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 600 | 9 | 3 | 6 | 4.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL340327 | 117409 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 600 | 9 | 3 | 6 | 4.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44351519 | 167943 | 0 | None | -1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 620 | 8 | 3 | 6 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL435404 | 167943 | 0 | None | -1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 620 | 8 | 3 | 6 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 52949124 | 861 | 2 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 904 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 9915756 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL2111204 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL356898 | 2965 | 7 | None | - | 1 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 10580492 | 14352 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 690 | 19 | 7 | 7 | 1.0 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/C(=O)O | 10.1021/jm0000416 | ||
| CHEMBL120257 | 14352 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 690 | 19 | 7 | 7 | 1.0 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/C(=O)O | 10.1021/jm0000416 | ||
| 10507109 | 108727 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 561 | 7 | 2 | 4 | 5.3 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL321761 | 108727 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 561 | 7 | 2 | 4 | 5.3 | CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1016/j.bmc.2007.12.047 | ||
| 11540160 | 71089 | 0 | None | -5 | 3 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 7 | 3 | 3 | 6.6 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL196133 | 71089 | 0 | None | -5 | 3 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 7 | 3 | 3 | 6.6 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 11693225 | 197113 | 0 | None | 7 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 676 | 8 | 3 | 7 | 4.8 | O=C(N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| CHEMBL583344 | 197113 | 0 | None | 7 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 676 | 8 | 3 | 7 | 4.8 | O=C(N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| 9913081 | 82005 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 4 | 1 | 6 | 3.9 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL217453 | 82005 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 4 | 1 | 6 | 3.9 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 9913081 | 82005 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 4 | 1 | 6 | 3.9 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL217453 | 82005 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 4 | 1 | 6 | 3.9 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 9913081 | 82005 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 4 | 1 | 6 | 3.9 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL217453 | 82005 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 4 | 1 | 6 | 3.9 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| 44403980 | 11685 | 0 | None | 398 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 677 | 11 | 5 | 6 | 5.2 | CN(C(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1181938 | 11685 | 0 | None | 398 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 677 | 11 | 5 | 6 | 5.2 | CN(C(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067951 | 11685 | 0 | None | 398 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 677 | 11 | 5 | 6 | 5.2 | CN(C(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 121964 | 205 | 28 | None | -831 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990252e | ||||
| 858 | 205 | 28 | None | -831 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990252e | ||||
| CHEMBL323521 | 205 | 28 | None | -831 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990252e | ||||
| 45486947 | 195217 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 654 | 8 | 2 | 7 | 5.2 | COC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| CHEMBL566177 | 195217 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 654 | 8 | 2 | 7 | 5.2 | COC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| 11396307 | 136007 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 430 | 5 | 1 | 6 | 3.7 | CCc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 | 10.1021/jm060590x | ||
| CHEMBL373703 | 136007 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 430 | 5 | 1 | 6 | 3.7 | CCc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 | 10.1021/jm060590x | ||
| 11281656 | 141238 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 422 | 4 | 1 | 6 | 3.4 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCC1 | 10.1021/jm060590x | ||
| CHEMBL386143 | 141238 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 422 | 4 | 1 | 6 | 3.4 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCC1 | 10.1021/jm060590x | ||
| 11518254 | 11681 | 0 | None | 31 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 460 | 7 | 4 | 3 | 5.8 | O=C(O)c1cc(NC(=O)c2cc(-c3ccccc3)[nH]c2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1181918 | 11681 | 0 | None | 31 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 460 | 7 | 4 | 3 | 5.8 | O=C(O)c1cc(NC(=O)c2cc(-c3ccccc3)[nH]c2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067948 | 11681 | 0 | None | 31 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 460 | 7 | 4 | 3 | 5.8 | O=C(O)c1cc(NC(=O)c2cc(-c3ccccc3)[nH]c2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 9958028 | 11684 | 0 | None | 12 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 511 | 7 | 4 | 4 | 6.4 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccc4ccccc4c3)nc2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1181937 | 11684 | 0 | None | 12 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 511 | 7 | 4 | 4 | 6.4 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccc4ccccc4c3)nc2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067950 | 11684 | 0 | None | 12 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 511 | 7 | 4 | 4 | 6.4 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccc4ccccc4c3)nc2CC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 16090692 | 82014 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 458 | 6 | 2 | 6 | 4.1 | O=C(NCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL217492 | 82014 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 458 | 6 | 2 | 6 | 4.1 | O=C(NCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 11699148 | 75613 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 511 | 7 | 2 | 6 | 3.4 | CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL205423 | 75613 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 511 | 7 | 2 | 6 | 3.4 | CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 | 10.1021/jm051219x | ||
| 25033229 | 153952 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 494 | 4 | 1 | 5 | 4.0 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL399059 | 153952 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 494 | 4 | 1 | 5 | 4.0 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 16090650 | 80633 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 4 | 1 | 7 | 2.5 | CN1CCN(C(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cccc3nsnc23)CC1 | 10.1021/jm060590x | ||
| CHEMBL215415 | 80633 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 4 | 1 | 7 | 2.5 | CN1CCN(C(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cccc3nsnc23)CC1 | 10.1021/jm060590x | ||
| 16090791 | 81692 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 462 | 6 | 1 | 8 | 3.1 | COc1cc(NS(=O)(=O)c2cccc3nsnc23)c(C(=O)N2CCCCC2)cc1OC | 10.1021/jm060590x | ||
| CHEMBL216623 | 81692 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 462 | 6 | 1 | 8 | 3.1 | COc1cc(NS(=O)(=O)c2cccc3nsnc23)c(C(=O)N2CCCCC2)cc1OC | 10.1021/jm060590x | ||
| 16090692 | 82014 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 458 | 6 | 2 | 6 | 4.1 | O=C(NCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1021/jm060590x | ||
| CHEMBL217492 | 82014 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 458 | 6 | 2 | 6 | 4.1 | O=C(NCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1021/jm060590x | ||
| 15297878 | 112582 | 0 | None | - | 1 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 4 | 2 | 2 | 5.1 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCc1cccc2ccccc12 | 10.1021/jm00048a001 | ||
| CHEMBL331324 | 112582 | 0 | None | - | 1 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 4 | 2 | 2 | 5.1 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCc1cccc2ccccc12 | 10.1021/jm00048a001 | ||
| CHEMBL382051 | 210536 | 0 | None | -131 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 44351455 | 116306 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 604 | 8 | 3 | 6 | 4.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL337934 | 116306 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 604 | 8 | 3 | 6 | 4.6 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44351446 | 155588 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 631 | 9 | 3 | 8 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL406359 | 155588 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 631 | 9 | 3 | 8 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 11613179 | 71429 | 0 | None | -3 | 3 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 511 | 7 | 3 | 3 | 7.1 | Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| CHEMBL196745 | 71429 | 0 | None | -3 | 3 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 511 | 7 | 3 | 3 | 7.1 | Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| 11576771 | 74067 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 489 | 6 | 2 | 5 | 5.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL202680 | 74067 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 489 | 6 | 2 | 5 | 5.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 44580900 | 187846 | 0 | None | -2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1057 | 23 | 8 | 14 | 2.6 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL502398 | 187846 | 0 | None | -2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1057 | 23 | 8 | 14 | 2.6 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| 15513860 | 112805 | 0 | None | - | 1 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 602 | 8 | 1 | 5 | 5.6 | CC(=O)N1[C@H](C(=O)CCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2F)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL331560 | 112805 | 0 | None | - | 1 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 602 | 8 | 1 | 5 | 5.6 | CC(=O)N1[C@H](C(=O)CCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2F)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 11698512 | 167681 | 0 | None | -5 | 3 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 435 | 8 | 3 | 3 | 5.5 | CCCc1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL433776 | 167681 | 0 | None | -5 | 3 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 435 | 8 | 3 | 3 | 5.5 | CCCc1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 108187 | 911 | 30 | None | -295 | 5 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm990967h | ||
| 873 | 911 | 30 | None | -295 | 5 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm990967h | ||
| CHEMBL2062154 | 911 | 30 | None | -295 | 5 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm990967h | ||
| CHEMBL287735 | 911 | 30 | None | -295 | 5 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm990967h | ||
| 5311201 | 205653 | 30 | None | -234 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL9387 | 205653 | 30 | None | -234 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm990967h | ||
| 443375 | 205862 | 40 | None | -389 | 5 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL9506 | 205862 | 40 | None | -389 | 5 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| 11505466 | 71671 | 0 | None | -2 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 425 | 7 | 3 | 3 | 5.1 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCc2ccccc2)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL197578 | 71671 | 0 | None | -2 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 425 | 7 | 3 | 3 | 5.1 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCc2ccccc2)[nH]1 | 10.1021/jm0490686 | ||
| 10840341 | 12385 | 0 | None | - | 1 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 547 | 7 | 2 | 5 | 4.0 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC1CCCCCC1 | 10.1021/jm000960w | ||
| CHEMBL118653 | 12385 | 0 | None | - | 1 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 547 | 7 | 2 | 5 | 4.0 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC1CCCCCC1 | 10.1021/jm000960w | ||
| 10099495 | 107234 | 0 | None | 117 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 567 | 8 | 3 | 3 | 6.7 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)cc1Cl | 10.1021/jm00072a005 | ||
| CHEMBL319120 | 107234 | 0 | None | 117 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 567 | 8 | 3 | 3 | 6.7 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)cc1Cl | 10.1021/jm00072a005 | ||
| 44272156 | 140998 | 0 | None | 45 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1194 | 24 | 13 | 13 | 2.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| CHEMBL384731 | 140998 | 0 | None | 45 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1194 | 24 | 13 | 13 | 2.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| 11498528 | 72116 | 0 | None | -38 | 3 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 6.1 | O=C(O)c1cccc(NC(=O)c2[nH]c(C34CCC(CC3)CC4)nc2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL198933 | 72116 | 0 | None | -38 | 3 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 6.1 | O=C(O)c1cccc(NC(=O)c2[nH]c(C34CCC(CC3)CC4)nc2COC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL383458 | 210556 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm050921q | ||||
| 10840582 | 167405 | 0 | None | -257 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]12 | 10.1021/jm9703247 | ||
| CHEMBL431858 | 167405 | 0 | None | -257 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]12 | 10.1021/jm9703247 | ||
| 10698558 | 116705 | 0 | None | 3 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccccc2)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL339451 | 116705 | 0 | None | 3 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccccc2)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 10579208 | 117869 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL341045 | 117869 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44329798 | 107050 | 0 | None | -2 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 610 | 10 | 2 | 4 | 6.5 | CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL318852 | 107050 | 0 | None | -2 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 610 | 10 | 2 | 4 | 6.5 | CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)O | 10.1021/jm00072a005 | ||
| 44356886 | 28200 | 0 | None | 42 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 757 | 11 | 5 | 5 | 7.3 | O=C(O)c1cc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL137525 | 28200 | 0 | None | 42 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 757 | 11 | 5 | 5 | 7.3 | O=C(O)c1cc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 44331479 | 4291 | 0 | None | 27 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 494 | 9 | 1 | 5 | 4.7 | CC(C)CCN1C(=O)C(NC(=O)Oc2cccc(N(C)C)c2)C(=O)N(CCC(C)C)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL101208 | 4291 | 0 | None | 27 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 494 | 9 | 1 | 5 | 4.7 | CC(C)CCN1C(=O)C(NC(=O)Oc2cccc(N(C)C)c2)C(=O)N(CCC(C)C)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| 10793450 | 116957 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccccc2)C[C@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL339931 | 116957 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccccc2)C[C@H]1C(=O)O | 10.1021/jm970439a | ||
| 11512112 | 75226 | 0 | None | -5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 4.9 | CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL204683 | 75226 | 0 | None | -5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 4.9 | CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | 10.1021/jm051219x | ||
| 10618720 | 192886 | 0 | None | 4 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 363 | 4 | 2 | 2 | 4.5 | O=C(O)c1cc2ccccc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm9508907 | ||
| CHEMBL52740 | 192886 | 0 | None | 4 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 363 | 4 | 2 | 2 | 4.5 | O=C(O)c1cc2ccccc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm9508907 | ||
| 44272042 | 96586 | 0 | None | 131 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1274 | 26 | 13 | 15 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| CHEMBL266990 | 96586 | 0 | None | 131 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1274 | 26 | 13 | 15 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| 11584903 | 140195 | 0 | None | 3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 560 | 10 | 2 | 6 | 5.1 | CNCCN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL381805 | 140195 | 0 | None | 3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 560 | 10 | 2 | 6 | 5.1 | CNCCN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL2370441 | 208096 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00174a016 | ||||
| 5311188 | 9697 | 2 | None | 1 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 | 10.1021/jm9703247 | ||
| CHEMBL113718 | 9697 | 2 | None | 1 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 559 | 7 | 3 | 5 | 4.1 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 | 10.1021/jm9703247 | ||
| 11497371 | 70271 | 0 | None | 1 | 3 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 525 | 7 | 3 | 3 | 7.4 | Cc1cc(C)c(-c2nc(C(=O)Nc3ccc(C)c(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| CHEMBL195007 | 70271 | 0 | None | 1 | 3 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 525 | 7 | 3 | 3 | 7.4 | Cc1cc(C)c(-c2nc(C(=O)Nc3ccc(C)c(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| 9939183 | 113616 | 0 | None | 6606 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 633 | 7 | 2 | 5 | 5.9 | O=C(Nc1cccc(CN2CCOCC2)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL332850 | 113616 | 0 | None | 6606 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 633 | 7 | 2 | 5 | 5.9 | O=C(Nc1cccc(CN2CCOCC2)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 44451843 | 158880 | 0 | None | 13 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 562 | 8 | 2 | 5 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CC(=O)O)c2)C(=O)N(C2CCCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL410114 | 158880 | 0 | None | 13 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 562 | 8 | 2 | 5 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CC(=O)O)c2)C(=O)N(C2CCCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL3350335 | 209718 | 0 | None | 245 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||||
| 44357057 | 118702 | 0 | None | 446 | 2 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 769 | 11 | 5 | 5 | 6.7 | O=C(O)c1cc(NC(=O)[C@@H](Cc2ccccc2F)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL343367 | 118702 | 0 | None | 446 | 2 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 769 | 11 | 5 | 5 | 6.7 | O=C(O)c1cc(NC(=O)[C@@H](Cc2ccccc2F)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 11555184 | 165468 | 0 | None | -3 | 3 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 503 | 7 | 3 | 3 | 7.0 | Cc1ccc(NC(=O)c2[nH]c(C3(C)CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm0490686 | ||
| CHEMBL425574 | 165468 | 0 | None | -3 | 3 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 503 | 7 | 3 | 3 | 7.0 | Cc1ccc(NC(=O)c2[nH]c(C3(C)CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm0490686 | ||
| 44346176 | 112822 | 0 | None | 21 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 496 | 6 | 3 | 3 | 6.2 | CC(CC1CCCC1)c1cccc2c1NC(=O)C(NC(=O)Nc1ccccc1)C(=O)N2c1ccccc1 | 10.1021/jm990967h | ||
| CHEMBL331651 | 112822 | 0 | None | 21 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 496 | 6 | 3 | 3 | 6.2 | CC(CC1CCCC1)c1cccc2c1NC(=O)C(NC(=O)Nc1ccccc1)C(=O)N2c1ccccc1 | 10.1021/jm990967h | ||
| 10628422 | 108673 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 692 | 19 | 6 | 8 | 0.9 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)OC | 10.1021/jm0000416 | ||
| CHEMBL321456 | 108673 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 692 | 19 | 6 | 8 | 0.9 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)OC | 10.1021/jm0000416 | ||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm950423p | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm950423p | ||
| 118727698 | 117075 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 2392 | 78 | 21 | 30 | 7.0 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCn1cc(COc2cc(OCc3cn(CCCCCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)cc(OCc3cn(CCCCCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)c2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2015.02.028 | ||
| CHEMBL3400296 | 117075 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 2392 | 78 | 21 | 30 | 7.0 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCn1cc(COc2cc(OCc3cn(CCCCCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)cc(OCc3cn(CCCCCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)c2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2015.02.028 | ||
| 10076872 | 114960 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 576 | 12 | 5 | 5 | 4.6 | C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL3351018 | 114960 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 576 | 12 | 5 | 5 | 4.6 | C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00087a011 | ||
| 5311201 | 205653 | 30 | None | -26 | 6 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00048a001 | ||
| CHEMBL9387 | 205653 | 30 | None | -26 | 6 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm00048a001 | ||
| CHEMBL408330 | 210948 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 44345946 | 14589 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 636 | 10 | 3 | 5 | 6.3 | O=C(O)CCCOc1ccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)cc1 | 10.1021/jm990967h | ||
| CHEMBL120657 | 14589 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 636 | 10 | 3 | 5 | 6.3 | O=C(O)CCCOc1ccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)cc1 | 10.1021/jm990967h | ||
| 10722460 | 15008 | 0 | None | 309 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 612 | 5 | 2 | 3 | 6.9 | O=C(Nc1cccc(Br)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL121028 | 15008 | 0 | None | 309 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 612 | 5 | 2 | 3 | 6.9 | O=C(Nc1cccc(Br)c1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 10532528 | 14366 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 676 | 19 | 6 | 7 | 1.4 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)=O | 10.1021/jm0000416 | ||
| CHEMBL120335 | 14366 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 676 | 19 | 6 | 7 | 1.4 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)=O | 10.1021/jm0000416 | ||
| 10370877 | 114963 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 574 | 11 | 5 | 5 | 4.4 | C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)/C=C/C(=O)O)c1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL3351021 | 114963 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 574 | 11 | 5 | 5 | 4.4 | C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)/C=C/C(=O)O)c1ccccc1 | 10.1021/jm00087a011 | ||
| 16733051 | 136420 | 0 | None | 758 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 595 | 8 | 2 | 7 | 4.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)NS(C)(=O)=O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL374390 | 136420 | 0 | None | 758 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 595 | 8 | 2 | 7 | 4.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)NS(C)(=O)=O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 44331468 | 4207 | 0 | None | 16 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 7 | 2 | 3 | 4.8 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL100685 | 4207 | 0 | None | 16 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 7 | 2 | 3 | 4.8 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| 10580503 | 101207 | 0 | None | 234 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 691 | 11 | 6 | 10 | 3.7 | O=C(NCC1CCCCCC1)c1cc2nc[nH]c2cc1C(=O)N[C@@H](Cc1ccccc1F)C(=O)Nc1cc(-c2nn[nH]n2)cc(-c2nn[nH]n2)c1 | 10.1021/jm9508907 | ||
| CHEMBL299387 | 101207 | 0 | None | 234 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 691 | 11 | 6 | 10 | 3.7 | O=C(NCC1CCCCCC1)c1cc2nc[nH]c2cc1C(=O)N[C@@H](Cc1ccccc1F)C(=O)Nc1cc(-c2nn[nH]n2)cc(-c2nn[nH]n2)c1 | 10.1021/jm9508907 | ||
| 44580898 | 187768 | 0 | None | -5 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 973 | 16 | 8 | 14 | 1.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL501238 | 187768 | 0 | None | -5 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 973 | 16 | 8 | 14 | 1.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| 145991328 | 166343 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1086 | 34 | 13 | 11 | 0.1 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC[Se]C)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4286411 | 166343 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1086 | 34 | 13 | 11 | 0.1 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC[Se]C)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| 14802520 | 119841 | 1 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL353157 | 119841 | 1 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 628 | 13 | 5 | 5 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 44356448 | 167665 | 0 | None | 75 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 769 | 11 | 5 | 5 | 6.7 | O=C(O)c1cc(NC(=O)[C@@H](Cc2cccc(F)c2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL433656 | 167665 | 0 | None | 75 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 769 | 11 | 5 | 5 | 6.7 | O=C(O)c1cc(NC(=O)[C@@H](Cc2cccc(F)c2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 5311201 | 205653 | 30 | None | -26 | 6 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm000960w | ||
| CHEMBL9387 | 205653 | 30 | None | -26 | 6 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm000960w | ||
| 118727699 | 117076 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 3179 | 132 | 21 | 45 | 9.8 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COCCOCCOCCOCCOCCCCc1cn(CCCCCCOc2cc(OCCCCCCn3cc(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)cc(OCCCCCCn3cc(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)c2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2015.02.028 | ||
| CHEMBL3400297 | 117076 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 3179 | 132 | 21 | 45 | 9.8 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COCCOCCOCCOCCOCCCCc1cn(CCCCCCOc2cc(OCCCCCCn3cc(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)cc(OCCCCCCn3cc(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)c2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2015.02.028 | ||
| 44351445 | 116421 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 654 | 8 | 3 | 6 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338525 | 116421 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 654 | 8 | 3 | 6 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL3351049 | 209777 | 0 | None | 2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||||
| 44271859 | 140981 | 0 | None | 4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1292 | 39 | 14 | 16 | 2.0 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| CHEMBL384618 | 140981 | 0 | None | 4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1292 | 39 | 14 | 16 | 2.0 | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| 44344616 | 113299 | 0 | None | - | 1 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 583 | 6 | 1 | 5 | 3.9 | O=C(O)CN1CC(=O)N2[C@@H](CC(=O)c3ccccc3N(Cc3ccccc3)C(=O)[C@H]2CC23CC4CC(CC(C4)C2)C3)C1=O | 10.1021/jm000960w | ||
| CHEMBL332489 | 113299 | 0 | None | - | 1 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 583 | 6 | 1 | 5 | 3.9 | O=C(O)CN1CC(=O)N2[C@@H](CC(=O)c3ccccc3N(Cc3ccccc3)C(=O)[C@H]2CC23CC4CC(CC(C4)C2)C3)C1=O | 10.1021/jm000960w | ||
| 118719254 | 114962 | 0 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 602 | 12 | 5 | 5 | 4.9 | CC1(C)C2CCC1(C)[C@@H](OC(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1021/jm00087a011 | ||
| CHEMBL3351020 | 114962 | 0 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 602 | 12 | 5 | 5 | 4.9 | CC1(C)C2CCC1(C)[C@@H](OC(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1021/jm00087a011 | ||
| 10413618 | 201094 | 0 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL62205 | 201094 | 0 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1021/jm00087a011 | ||
| 11363465 | 81128 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 6 | 1 | 6 | 4.4 | CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1021/jm060590x | ||
| CHEMBL216124 | 81128 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 6 | 1 | 6 | 4.4 | CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1021/jm060590x | ||
| 11259485 | 81165 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 450 | 4 | 1 | 6 | 4.2 | CC1CCCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1021/jm060590x | ||
| CHEMBL216320 | 81165 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 450 | 4 | 1 | 6 | 4.2 | CC1CCCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1021/jm060590x | ||
| 11352971 | 81481 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 524 | 4 | 1 | 6 | 2.5 | O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| CHEMBL216483 | 81481 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 524 | 4 | 1 | 6 | 2.5 | O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| 16090694 | 81928 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 530 | 4 | 1 | 7 | 2.6 | O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| CHEMBL217225 | 81928 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 530 | 4 | 1 | 7 | 2.6 | O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| 11352971 | 81481 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 524 | 4 | 1 | 6 | 2.5 | O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL216483 | 81481 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 524 | 4 | 1 | 6 | 2.5 | O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1 | 10.1016/j.bmc.2008.01.059 | ||
| 44404005 | 12164 | 0 | None | 100 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 623 | 11 | 5 | 5 | 5.0 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1184845 | 12164 | 0 | None | 100 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 623 | 11 | 5 | 5 | 5.0 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067963 | 12164 | 0 | None | 100 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 623 | 11 | 5 | 5 | 5.0 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 57392083 | 68047 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 735 | 23 | 7 | 8 | 2.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCN=[N+]=[N-])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2011.08.053 | ||
| CHEMBL1917058 | 68047 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 735 | 23 | 7 | 8 | 2.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCN=[N+]=[N-])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2011.08.053 | ||
| CHEMBL440259 | 212104 | 0 | None | 4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||||
| 11612498 | 133026 | 0 | None | -1 | 3 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 469 | 7 | 3 | 3 | 6.2 | O=C(O)c1cccc(NC(=O)c2[nH]c(-c3ccccc3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL371068 | 133026 | 0 | None | -1 | 3 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 469 | 7 | 3 | 3 | 6.2 | O=C(O)c1cccc(NC(=O)c2[nH]c(-c3ccccc3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 45486997 | 196096 | 0 | None | 12 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 486 | 7 | 1 | 6 | 4.5 | CN(CCc1ccccc1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL571832 | 196096 | 0 | None | 12 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 486 | 7 | 1 | 6 | 4.5 | CN(CCc1ccccc1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 16090688 | 79917 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.2 | CC(C)c1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 | 10.1021/jm060590x | ||
| CHEMBL214283 | 79917 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.2 | CC(C)c1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 | 10.1021/jm060590x | ||
| 11305046 | 81967 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 2.6 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| CHEMBL217255 | 81967 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 2.6 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| 11212985 | 82017 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 445 | 5 | 1 | 7 | 3.2 | CN(C)c1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 | 10.1021/jm060590x | ||
| CHEMBL217514 | 82017 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 445 | 5 | 1 | 7 | 3.2 | CN(C)c1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 | 10.1021/jm060590x | ||
| 11154873 | 141441 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 438 | 4 | 1 | 7 | 2.6 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| CHEMBL387413 | 141441 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 438 | 4 | 1 | 7 | 2.6 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| 25033306 | 94036 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 552 | 6 | 1 | 7 | 5.1 | CSc1nccc(-c2ccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)s2)n1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL251485 | 94036 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 552 | 6 | 1 | 7 | 5.1 | CSc1nccc(-c2ccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)s2)n1 | 10.1016/j.bmcl.2007.09.087 | ||
| 25033305 | 154186 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 478 | 4 | 1 | 4 | 5.1 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1csc2ccccc12)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL399919 | 154186 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 478 | 4 | 1 | 4 | 5.1 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1csc2ccccc12)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 25033149 | 158284 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.5 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc2ncsc2c1)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL409479 | 158284 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.5 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc2ncsc2c1)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| 9844256 | 11677 | 0 | None | 3 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 7 | 3 | 2 | 4.6 | O=C(O)CCNC(=O)c1cc(-c2ccccc2)[nH]c1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm049069y | ||
| CHEMBL1181869 | 11677 | 0 | None | 3 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 7 | 3 | 2 | 4.6 | O=C(O)CCNC(=O)c1cc(-c2ccccc2)[nH]c1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm049069y | ||
| CHEMBL2067947 | 11677 | 0 | None | 3 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 7 | 3 | 2 | 4.6 | O=C(O)CCNC(=O)c1cc(-c2ccccc2)[nH]c1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm049069y | ||
| 10532660 | 112766 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 690 | 19 | 7 | 7 | 1.0 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C\C(=O)O | 10.1021/jm0000416 | ||
| CHEMBL331495 | 112766 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 690 | 19 | 7 | 7 | 1.0 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C\C(=O)O | 10.1021/jm0000416 | ||
| 44351524 | 19126 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 604 | 7 | 3 | 5 | 5.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](c2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL129070 | 19126 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 604 | 7 | 3 | 5 | 5.5 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](c2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 10651635 | 164709 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 630 | 9 | 3 | 7 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL423119 | 164709 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 630 | 9 | 3 | 7 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 44351446 | 155588 | 0 | None | -3 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 631 | 9 | 3 | 8 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL406359 | 155588 | 0 | None | -3 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 631 | 9 | 3 | 8 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 10004216 | 4660 | 0 | None | 11 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.9 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1016/0960-894X(95)00528-2 | ||
| CHEMBL103750 | 4660 | 0 | None | 11 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.9 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1016/0960-894X(95)00528-2 | ||
| 11505870 | 72147 | 0 | None | 2 | 3 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 526 | 8 | 3 | 4 | 6.6 | Cc1ccccc1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c(C(=O)Nc2ccc(N(C)C)c(C(=O)O)c2)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL199032 | 72147 | 0 | None | 2 | 3 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 526 | 8 | 3 | 4 | 6.6 | Cc1ccccc1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c(C(=O)Nc2ccc(N(C)C)c(C(=O)O)c2)[nH]1 | 10.1021/jm0490686 | ||
| 44351444 | 116373 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 622 | 8 | 3 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338300 | 116373 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 622 | 8 | 3 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44580899 | 188477 | 0 | None | -4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1001 | 19 | 8 | 14 | 1.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL509792 | 188477 | 0 | None | -4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1001 | 19 | 8 | 14 | 1.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| 44331467 | 106954 | 0 | None | 41 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 529 | 7 | 1 | 4 | 5.8 | CC(C)CCN1C(=O)C(NC(=O)Oc2ccccc2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL318291 | 106954 | 0 | None | 41 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 529 | 7 | 1 | 4 | 5.8 | CC(C)CCN1C(=O)C(NC(=O)Oc2ccccc2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| 10506830 | 113455 | 0 | None | 6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.5 | O=C(Nc1ccccc1)NC1C(=O)N(CCC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL332601 | 113455 | 0 | None | 6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.5 | O=C(Nc1ccccc1)NC1C(=O)N(CCC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 11801462 | 116950 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL339907 | 116950 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 16732598 | 85001 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 476 | 7 | 2 | 5 | 4.1 | CC(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226571 | 85001 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 476 | 7 | 2 | 5 | 4.1 | CC(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 15513861 | 12356 | 0 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 588 | 7 | 1 | 5 | 5.2 | CC(=O)N1[C@H](C(=O)CC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2F)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL118630 | 12356 | 0 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 588 | 7 | 1 | 5 | 5.2 | CC(=O)N1[C@H](C(=O)CC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2F)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL386304 | 210623 | 0 | None | 6 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||||
| 11802782 | 14376 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 692 | 19 | 7 | 7 | 1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C(=O)O | 10.1021/jm0000416 | ||
| CHEMBL120401 | 14376 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 692 | 19 | 7 | 7 | 1.1 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C(=O)O | 10.1021/jm0000416 | ||
| 11798204 | 192985 | 0 | None | 10 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 460 | 5 | 2 | 3 | 4.5 | O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2cc1C(=O)N1CCC[C@@H]1C(=O)O | 10.1021/jm9508907 | ||
| CHEMBL53129 | 192985 | 0 | None | 10 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 460 | 5 | 2 | 3 | 4.5 | O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2cc1C(=O)N1CCC[C@@H]1C(=O)O | 10.1021/jm9508907 | ||
| 44331343 | 4330 | 0 | None | 57 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 606 | 6 | 2 | 3 | 7.0 | O=C(Nc1ccccc1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL101456 | 4330 | 0 | None | 57 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 606 | 6 | 2 | 3 | 7.0 | O=C(Nc1ccccc1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O | 10.1016/S0960-894X(96)00544-6 | ||
| 44280114 | 5026 | 0 | None | -1 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 567 | 7 | 2 | 4 | 6.1 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CCC(C(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL105618 | 5026 | 0 | None | -1 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 567 | 7 | 2 | 4 | 6.1 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CCC(C(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(98)00231-5 | ||
| 14208194 | 162872 | 2 | None | -1122 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm9703247 | ||
| CHEMBL419764 | 162872 | 2 | None | -1122 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm9703247 | ||
| 10255015 | 206552 | 0 | None | -4 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 490 | 8 | 4 | 2 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc2ccccc2c1)C(=O)NCCc1ccccc1 | 10.1021/jm00072a005 | ||
| CHEMBL99065 | 206552 | 0 | None | -4 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 490 | 8 | 4 | 2 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc2ccccc2c1)C(=O)NCCc1ccccc1 | 10.1021/jm00072a005 | ||
| 70693901 | 73596 | 0 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 600 | 12 | 5 | 5 | 4.5 | O=C(O)CCC(=O)NC(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL2021373 | 73596 | 0 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 600 | 12 | 5 | 5 | 4.5 | O=C(O)CCC(=O)NC(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 | 10.1021/jm00087a011 | ||
| 44580898 | 187768 | 0 | None | -5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 973 | 16 | 8 | 14 | 1.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL501238 | 187768 | 0 | None | -5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 973 | 16 | 8 | 14 | 1.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| 90662935 | 106080 | 0 | None | -10 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1057 | 30 | 11 | 11 | 2.6 | CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| CHEMBL3142373 | 106080 | 0 | None | -10 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1057 | 30 | 11 | 11 | 2.6 | CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| CHEMBL3351062 | 209787 | 0 | None | 173 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(=O)N(C)[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||||
| 9808153 | 112164 | 0 | None | 36 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 571 | 11 | 3 | 4 | 5.6 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCC(=O)O)CCc1ccccc1 | 10.1021/jm00072a005 | ||
| CHEMBL330390 | 112164 | 0 | None | 36 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 571 | 11 | 3 | 4 | 5.6 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCC(=O)O)CCc1ccccc1 | 10.1021/jm00072a005 | ||
| 10054705 | 107928 | 0 | None | 28 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 625 | 10 | 3 | 4 | 6.5 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL319880 | 107928 | 0 | None | 28 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 625 | 10 | 3 | 4 | 6.5 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)O | 10.1021/jm00072a005 | ||
| 11216391 | 162929 | 0 | None | -1348 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 747 | 23 | 7 | 7 | 2.1 | CCCCCNC(=O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2003.11.001 | ||
| CHEMBL420161 | 162929 | 0 | None | -1348 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 747 | 23 | 7 | 7 | 2.1 | CCCCCNC(=O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2003.11.001 | ||
| 15513859 | 113298 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 680 | 8 | 2 | 7 | 3.3 | CC(=O)N1[C@H](C(=O)NCC(=O)NS(C)(=O)=O)CC(=O)c2ccccc2N(Cc2ccccc2F)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL332488 | 113298 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 680 | 8 | 2 | 7 | 3.3 | CC(=O)N1[C@H](C(=O)NCC(=O)NS(C)(=O)=O)CC(=O)c2ccccc2N(Cc2ccccc2F)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 44451523 | 95484 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 541 | 7 | 2 | 5 | 4.1 | O=C(CN1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(c2ccccc2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL259390 | 95484 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 541 | 7 | 2 | 5 | 4.1 | O=C(CN1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(c2ccccc2)C1=O)Nc1cccc(C(=O)O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| 44408524 | 155152 | 0 | None | -158 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 1134 | 30 | 12 | 15 | 2.6 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL405192 | 155152 | 0 | None | -158 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 1134 | 30 | 12 | 15 | 2.6 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| 11512746 | 70251 | 0 | None | - | 1 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 405 | 6 | 3 | 3 | 5.3 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC(C)(C)C)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL194974 | 70251 | 0 | None | - | 1 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 405 | 6 | 3 | 3 | 5.3 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC(C)(C)C)[nH]1 | 10.1021/jm0490686 | ||
| 118719285 | 114971 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 733 | 15 | 5 | 7 | 4.7 | CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)c1ccccc1 | 10.1021/jm00053a022 | ||
| CHEMBL3351057 | 114971 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 733 | 15 | 5 | 7 | 4.7 | CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)c1ccccc1 | 10.1021/jm00053a022 | ||
| 10482233 | 167628 | 0 | None | 41 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 533 | 8 | 3 | 3 | 6.0 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)cc1 | 10.1021/jm00072a005 | ||
| CHEMBL433407 | 167628 | 0 | None | 41 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 533 | 8 | 3 | 3 | 6.0 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)cc1 | 10.1021/jm00072a005 | ||
| 10440219 | 168122 | 0 | None | 25 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 776 | 15 | 6 | 7 | 4.4 | CN(C)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccccc1 | 10.1016/S0960-894X(00)80678-2 | ||
| CHEMBL436722 | 168122 | 0 | None | 25 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 776 | 15 | 6 | 7 | 4.4 | CN(C)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccccc1 | 10.1016/S0960-894X(00)80678-2 | ||
| 11518283 | 165596 | 0 | None | -5 | 3 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 6.2 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL426290 | 165596 | 0 | None | -5 | 3 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 6.2 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 45486955 | 195712 | 0 | None | 5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 628 | 8 | 3 | 7 | 5.0 | O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL569470 | 195712 | 0 | None | 5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 628 | 8 | 3 | 7 | 5.0 | O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 16090781 | 141420 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 498 | 4 | 1 | 6 | 4.0 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1c(F)ccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL387287 | 141420 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 498 | 4 | 1 | 6 | 4.0 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1c(F)ccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 11453391 | 168263 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 436 | 4 | 1 | 6 | 3.8 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL437908 | 168263 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 436 | 4 | 1 | 6 | 3.8 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 11453391 | 168263 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 436 | 4 | 1 | 6 | 3.8 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL437908 | 168263 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 436 | 4 | 1 | 6 | 3.8 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| 118719084 | 120079 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 602 | 12 | 5 | 5 | 4.9 | CC1(C)C2CCC1(C)[C@@H](OC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1021/jm00087a011 | ||
| CHEMBL3350691 | 120079 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 602 | 12 | 5 | 5 | 4.9 | CC1(C)C2CCC1(C)[C@@H](OC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1021/jm00087a011 | ||
| CHEMBL3545975 | 120079 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 602 | 12 | 5 | 5 | 4.9 | CC1(C)C2CCC1(C)[C@@H](OC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)C2 | 10.1021/jm00087a011 | ||
| 45486933 | 195251 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 520 | 7 | 2 | 6 | 5.3 | CC(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL566360 | 195251 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 520 | 7 | 2 | 6 | 5.3 | CC(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.09.064 | ||
| 1098327 | 141419 | 6 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 436 | 4 | 1 | 6 | 3.8 | O=C(c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL387285 | 141419 | 6 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 436 | 4 | 1 | 6 | 3.8 | O=C(c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 1098327 | 141419 | 6 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 436 | 4 | 1 | 6 | 3.8 | O=C(c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL387285 | 141419 | 6 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 436 | 4 | 1 | 6 | 3.8 | O=C(c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 44403999 | 12163 | 0 | None | 12 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 619 | 10 | 5 | 5 | 5.2 | O=C(O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm049069y | ||
| CHEMBL1184841 | 12163 | 0 | None | 12 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 619 | 10 | 5 | 5 | 5.2 | O=C(O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm049069y | ||
| CHEMBL2067962 | 12163 | 0 | None | 12 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 619 | 10 | 5 | 5 | 5.2 | O=C(O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm049069y | ||
| 25033307 | 94071 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 525 | 5 | 1 | 6 | 5.4 | Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)s2)cs1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL251655 | 94071 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 525 | 5 | 1 | 6 | 5.4 | Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)s2)cs1 | 10.1016/j.bmcl.2007.09.087 | ||
| 16090652 | 141018 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 416 | 4 | 1 | 6 | 2.0 | O=C(c1ccc(F)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| CHEMBL384854 | 141018 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 416 | 4 | 1 | 6 | 2.0 | O=C(c1ccc(F)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| 16090693 | 141141 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 422 | 4 | 1 | 7 | 2.1 | O=C(c1ccc(F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| CHEMBL385552 | 141141 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 422 | 4 | 1 | 7 | 2.1 | O=C(c1ccc(F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| 9956948 | 11808 | 0 | None | -1 | 2 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 483 | 7 | 4 | 4 | 6.0 | O=C(Nc1cc(CO)cc(CO)c1)c1[nH]c(-c2ccc3ccccc3c2)nc1CC1CCCCCC1 | 10.1021/jm049069y | ||
| CHEMBL1182723 | 11808 | 0 | None | -1 | 2 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 483 | 7 | 4 | 4 | 6.0 | O=C(Nc1cc(CO)cc(CO)c1)c1[nH]c(-c2ccc3ccccc3c2)nc1CC1CCCCCC1 | 10.1021/jm049069y | ||
| CHEMBL2067953 | 11808 | 0 | None | -1 | 2 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 483 | 7 | 4 | 4 | 6.0 | O=C(Nc1cc(CO)cc(CO)c1)c1[nH]c(-c2ccc3ccccc3c2)nc1CC1CCCCCC1 | 10.1021/jm049069y | ||
| 10605398 | 113985 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 807 | 21 | 8 | 9 | 1.8 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O | 10.1021/jm0000416 | ||
| CHEMBL333516 | 113985 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 807 | 21 | 8 | 9 | 1.8 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O | 10.1021/jm0000416 | ||
| 16733645 | 13055 | 0 | None | 416 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 598 | 9 | 2 | 7 | 5.4 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3cn(CC(=O)O)cn3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL1190962 | 13055 | 0 | None | 416 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 598 | 9 | 2 | 7 | 5.4 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3cn(CC(=O)O)cn3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL541903 | 13055 | 0 | None | 416 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 598 | 9 | 2 | 7 | 5.4 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3cn(CC(=O)O)cn3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 10604847 | 193001 | 0 | None | 218 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 711 | 11 | 6 | 10 | 3.8 | O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2nc[nH]c2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)cc(-c2nn[nH]n2)c1 | 10.1021/jm9508907 | ||
| CHEMBL53237 | 193001 | 0 | None | 218 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 711 | 11 | 6 | 10 | 3.8 | O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2nc[nH]c2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)cc(-c2nn[nH]n2)c1 | 10.1021/jm9508907 | ||
| 10004216 | 4660 | 0 | None | 11 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.9 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL103750 | 4660 | 0 | None | 11 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.9 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| 44451547 | 96251 | 0 | None | 2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 587 | 8 | 2 | 8 | 4.7 | CN(c1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1)c1nn[nH]n1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL264150 | 96251 | 0 | None | 2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 587 | 8 | 2 | 8 | 4.7 | CN(c1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1)c1nn[nH]n1 | 10.1016/j.bmc.2007.12.047 | ||
| 16733057 | 136418 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 596 | 9 | 2 | 7 | 4.3 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL374389 | 136418 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 596 | 9 | 2 | 7 | 4.3 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 10628607 | 116261 | 0 | None | 467 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 713 | 11 | 5 | 5 | 6.4 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL337673 | 116261 | 0 | None | 467 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 713 | 11 | 5 | 5 | 6.4 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 10842269 | 101090 | 0 | None | 575 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 681 | 11 | 6 | 6 | 5.0 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL298551 | 101090 | 0 | None | 575 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 681 | 11 | 6 | 6 | 5.0 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| 16733182 | 98102 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 556 | 8 | 2 | 7 | 4.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(Cc3nnn[nH]3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL276645 | 98102 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 556 | 8 | 2 | 7 | 4.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(Cc3nnn[nH]3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 10697783 | 117117 | 0 | None | 141 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 543 | 7 | 2 | 4 | 5.7 | CN(C)c1ccc(NC(=O)NC2C(=O)N(CCC3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)cc1 | 10.1021/jm990967h | ||
| CHEMBL340107 | 117117 | 0 | None | 141 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 543 | 7 | 2 | 4 | 5.7 | CN(C)c1ccc(NC(=O)NC2C(=O)N(CCC3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)cc1 | 10.1021/jm990967h | ||
| 44272076 | 168233 | 0 | None | 407 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1194 | 24 | 13 | 13 | 2.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)[C@H](NC(=O)OC(C)(C)C)CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| CHEMBL437661 | 168233 | 0 | None | 407 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1194 | 24 | 13 | 13 | 2.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)[C@H](NC(=O)OC(C)(C)C)CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| 16732443 | 85058 | 0 | None | 1202 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 7 | 2 | 5 | 5.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL227147 | 85058 | 0 | None | 1202 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 7 | 2 | 5 | 5.6 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL331517 | 209622 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(=O)O | 10.1021/jm0000416 | ||||
| CHEMBL336381 | 209827 | 0 | None | 97 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm050921q | ||||
| 10101023 | 89013 | 0 | None | 57 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 675 | 11 | 8 | 7 | -0.1 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CC(=O)NCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL2371224 | 89013 | 0 | None | 57 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 675 | 11 | 8 | 7 | -0.1 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CC(=O)NCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| 10482868 | 106907 | 0 | None | -2 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 557 | 10 | 3 | 4 | 5.2 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL317999 | 106907 | 0 | None | -2 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 557 | 10 | 3 | 4 | 5.2 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1021/jm00072a005 | ||
| 44346825 | 114262 | 0 | None | 77 | 2 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 623 | 8 | 3 | 4 | 4.7 | C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)O | 10.1021/jm00048a001 | ||
| CHEMBL333920 | 114262 | 0 | None | 77 | 2 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 623 | 8 | 3 | 4 | 4.7 | C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)O | 10.1021/jm00048a001 | ||
| 10006936 | 205981 | 0 | None | 5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 521 | 6 | 3 | 3 | 6.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)Nc1ccc2ccccc2c1 | 10.1021/jm00072a005 | ||
| CHEMBL95689 | 205981 | 0 | None | 5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 521 | 6 | 3 | 3 | 6.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)Nc1ccc2ccccc2c1 | 10.1021/jm00072a005 | ||
| 10367509 | 106943 | 0 | None | 14 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 471 | 6 | 3 | 3 | 5.7 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)Nc1ccccc1 | 10.1021/jm00072a005 | ||
| CHEMBL318238 | 106943 | 0 | None | 14 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 471 | 6 | 3 | 3 | 5.7 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)Nc1ccccc1 | 10.1021/jm00072a005 | ||
| 44344932 | 12297 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 603 | 7 | 2 | 5 | 4.3 | CC(=O)N1C(C(=O)NCC(=O)O)CC(=O)c2cc(F)ccc2N(Cc2ccccc2)C(=O)C1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL118584 | 12297 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 603 | 7 | 2 | 5 | 4.3 | CC(=O)N1C(C(=O)NCC(=O)O)CC(=O)c2cc(F)ccc2N(Cc2ccccc2)C(=O)C1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL64605 | 214069 | 6 | None | -4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||||
| 44331483 | 106999 | 0 | None | 25 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 541 | 5 | 1 | 4 | 6.1 | O=C(NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O)Oc1ccccc1 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL318569 | 106999 | 0 | None | 25 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 541 | 5 | 1 | 4 | 6.1 | O=C(NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O)Oc1ccccc1 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL3350278 | 209710 | 0 | None | -20 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00174a016 | ||||
| 11800431 | 10906 | 0 | None | - | 1 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 3.6 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC1CCCCC1 | 10.1021/jm000960w | ||
| CHEMBL117510 | 10906 | 0 | None | - | 1 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 3.6 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC1CCCCC1 | 10.1021/jm000960w | ||
| 11804040 | 118930 | 0 | None | -2137 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 976 | 28 | 9 | 11 | 1.6 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| CHEMBL345049 | 118930 | 0 | None | -2137 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 976 | 28 | 9 | 11 | 1.6 | CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| CHEMBL3142843 | 209380 | 0 | None | 6 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00174a016 | ||||
| 10508568 | 89012 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL2371223 | 89012 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 660 | 11 | 7 | 6 | 2.0 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| 11592162 | 76161 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 561 | 11 | 2 | 6 | 5.9 | CCOCCNc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL206079 | 76161 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 561 | 11 | 2 | 6 | 5.9 | CCOCCNc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 44351454 | 116305 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 712 | 8 | 3 | 6 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(I)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL337933 | 116305 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 712 | 8 | 3 | 6 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(I)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 11561828 | 140083 | 0 | None | 4 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 468 | 7 | 3 | 2 | 6.8 | O=C(O)c1cccc(NC(=O)c2cc(-c3ccccc3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL381426 | 140083 | 0 | None | 4 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 468 | 7 | 3 | 2 | 6.8 | O=C(O)c1cccc(NC(=O)c2cc(-c3ccccc3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 44351445 | 116421 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 654 | 8 | 3 | 6 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338525 | 116421 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 654 | 8 | 3 | 6 | 5.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 10323690 | 98833 | 0 | None | - | 1 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL282056 | 98833 | 0 | None | - | 1 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 | 10.1021/jm00087a011 | ||
| 11511706 | 71902 | 0 | None | 1 | 3 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 6.6 | Cc1ccccc1-c1nc(C(=O)Nc2ccc(F)c(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL198225 | 71902 | 0 | None | 1 | 3 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 6.6 | Cc1ccccc1-c1nc(C(=O)Nc2ccc(F)c(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 44344987 | 113296 | 0 | None | - | 1 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 633 | 7 | 2 | 5 | 5.2 | CC(=O)N1[C@H](C(=O)N[C@H](C)C(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL332482 | 113296 | 0 | None | - | 1 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 633 | 7 | 2 | 5 | 5.2 | CC(=O)N1[C@H](C(=O)N[C@H](C)C(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 10557073 | 16181 | 0 | None | -3467 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 763 | 20 | 7 | 8 | 2.3 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C | 10.1021/jm0000416 | ||
| CHEMBL122934 | 16181 | 0 | None | -3467 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 763 | 20 | 7 | 8 | 2.3 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C | 10.1021/jm0000416 | ||
| 15297880 | 114029 | 0 | None | - | 1 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 433 | 4 | 2 | 2 | 5.1 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCc1ccc2ccccc2c1 | 10.1021/jm00048a001 | ||
| CHEMBL333664 | 114029 | 0 | None | - | 1 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 433 | 4 | 2 | 2 | 5.1 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCc1ccc2ccccc2c1 | 10.1021/jm00048a001 | ||
| 44272056 | 97699 | 0 | None | 42 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1194 | 24 | 13 | 13 | 2.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| CHEMBL273880 | 97699 | 0 | None | 42 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1194 | 24 | 13 | 13 | 2.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| 16731871 | 165770 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 492 | 9 | 2 | 5 | 4.6 | CCOCCN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL427277 | 165770 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 492 | 9 | 2 | 5 | 4.6 | CCOCCN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 10601706 | 14020 | 0 | None | - | 1 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 507 | 6 | 2 | 5 | 3.0 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC(C)(C)C | 10.1021/jm000960w | ||
| CHEMBL119825 | 14020 | 0 | None | - | 1 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 507 | 6 | 2 | 5 | 3.0 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC(C)(C)C | 10.1021/jm000960w | ||
| 45486985 | 196066 | 0 | None | 63 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 650 | 8 | 3 | 6 | 4.5 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| CHEMBL571650 | 196066 | 0 | None | 63 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 650 | 8 | 3 | 6 | 4.5 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| 11700410 | 197067 | 0 | None | 31 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 704 | 8 | 3 | 7 | 4.4 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| CHEMBL583035 | 197067 | 0 | None | 31 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 704 | 8 | 3 | 7 | 4.4 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| 11353036 | 140877 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 528 | 4 | 1 | 6 | 3.7 | O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL384097 | 140877 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 528 | 4 | 1 | 6 | 3.7 | O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 10770670 | 92047 | 0 | None | 301 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 663 | 11 | 6 | 6 | 4.9 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067959 | 92047 | 0 | None | 301 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 663 | 11 | 6 | 6 | 4.9 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL24313 | 92047 | 0 | None | 301 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 663 | 11 | 6 | 6 | 4.9 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL3351054 | 209782 | 0 | None | 812 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||||
| 11527738 | 75621 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL205455 | 75621 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 11527738 | 75621 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL205455 | 75621 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 5.2 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 44346097 | 167570 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 664 | 11 | 2 | 6 | 6.8 | CCOC(=O)CCCOc1ccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)cc1 | 10.1021/jm990967h | ||
| CHEMBL433028 | 167570 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 664 | 11 | 2 | 6 | 6.8 | CCOC(=O)CCCOc1ccc(NC(=O)NC2C(=O)N(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)cc1 | 10.1021/jm990967h | ||
| 10770670 | 92047 | 0 | None | 301 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 663 | 11 | 6 | 6 | 4.9 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL2067959 | 92047 | 0 | None | 301 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 663 | 11 | 6 | 6 | 4.9 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL24313 | 92047 | 0 | None | 301 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 663 | 11 | 6 | 6 | 4.9 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| 10484529 | 100950 | 0 | None | 707 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 663 | 11 | 5 | 6 | 5.8 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccoc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL297480 | 100950 | 0 | None | 707 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 663 | 11 | 5 | 6 | 5.8 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccoc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| 11591504 | 74689 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 504 | 7 | 1 | 5 | 5.5 | COc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL203530 | 74689 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 504 | 7 | 1 | 5 | 5.5 | COc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 16732018 | 85029 | 0 | None | 741 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 548 | 9 | 2 | 6 | 4.9 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(OCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL226729 | 85029 | 0 | None | 741 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 548 | 9 | 2 | 6 | 4.9 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(OCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 16732916 | 136417 | 0 | None | 338 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 596 | 8 | 2 | 5 | 6.3 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O)Nc1cccc(C(=O)O)c1 | 10.1021/jm070139l | ||
| CHEMBL374388 | 136417 | 0 | None | 338 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 596 | 8 | 2 | 5 | 6.3 | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O)Nc1cccc(C(=O)O)c1 | 10.1021/jm070139l | ||
| 21476261 | 4215 | 0 | None | 169 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 571 | 8 | 2 | 4 | 5.9 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL100776 | 4215 | 0 | None | 169 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 571 | 8 | 2 | 4 | 5.9 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| 11605694 | 168077 | 0 | None | 5 | 3 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 497 | 7 | 3 | 3 | 6.8 | Cc1ccc(NC(=O)c2[nH]c(-c3ccccc3C)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm0490686 | ||
| CHEMBL436314 | 168077 | 0 | None | 5 | 3 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 497 | 7 | 3 | 3 | 6.8 | Cc1ccc(NC(=O)c2[nH]c(-c3ccccc3C)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O | 10.1021/jm0490686 | ||
| 10031454 | 108088 | 0 | None | 67 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 596 | 10 | 2 | 4 | 5.5 | CC(Cc1ccc(Br)cc1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL320399 | 108088 | 0 | None | 67 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 596 | 10 | 2 | 4 | 5.5 | CC(Cc1ccc(Br)cc1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1021/jm00072a005 | ||
| 11534407 | 195250 | 0 | None | -6 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 584 | 8 | 3 | 7 | 4.9 | O=C(N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL566359 | 195250 | 0 | None | -6 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 584 | 8 | 3 | 7 | 4.9 | O=C(N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 11541048 | 195290 | 0 | None | -7 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 530 | 7 | 2 | 6 | 4.8 | C[C@H](CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL566604 | 195290 | 0 | None | -7 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 530 | 7 | 2 | 6 | 4.8 | C[C@H](CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 | 10.1016/j.bmcl.2009.09.064 | ||
| 11635377 | 197121 | 0 | None | -39 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 554 | 7 | 2 | 6 | 6.0 | CC(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL583457 | 197121 | 0 | None | -39 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 554 | 7 | 2 | 6 | 6.0 | CC(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2009.09.064 | ||
| 25033380 | 93711 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.9 | COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL249469 | 93711 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.9 | COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 24755148 | 94034 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 4 | 1 | 3 | 4.2 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1c(F)cccc1F)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL251466 | 94034 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 4 | 1 | 3 | 4.2 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1c(F)cccc1F)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 16090646 | 82064 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 466 | 5 | 1 | 7 | 3.8 | COc1cc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)cc1Cl | 10.1021/jm060590x | ||
| CHEMBL217715 | 82064 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 466 | 5 | 1 | 7 | 3.8 | COc1cc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)cc1Cl | 10.1021/jm060590x | ||
| 11202178 | 141293 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 467 | 5 | 1 | 7 | 3.9 | O=C(c1ccc(-n2cccc2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL386438 | 141293 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 467 | 5 | 1 | 7 | 3.9 | O=C(c1ccc(-n2cccc2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 44451830 | 157380 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 536 | 6 | 2 | 6 | 4.8 | O=C(NCc1ccc(Cl)cc1)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL408452 | 157380 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 536 | 6 | 2 | 6 | 4.8 | O=C(NCc1ccc(Cl)cc1)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmc.2008.01.059 | ||
| 44403982 | 12157 | 0 | None | 7 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 677 | 11 | 5 | 6 | 4.9 | CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)c1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1184798 | 12157 | 0 | None | 7 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 677 | 11 | 5 | 6 | 4.9 | CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)c1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067958 | 12157 | 0 | None | 7 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 677 | 11 | 5 | 6 | 4.9 | CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)c1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 25033309 | 94069 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 447 | 4 | 1 | 4 | 3.7 | N#Cc1cccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL251652 | 94069 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 447 | 4 | 1 | 4 | 3.7 | N#Cc1cccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c1 | 10.1016/j.bmcl.2007.09.087 | ||
| 16090782 | 141422 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 480 | 4 | 1 | 6 | 3.9 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc2nsnc2c1)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL387299 | 141422 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 480 | 4 | 1 | 6 | 3.9 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc2nsnc2c1)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 25033226 | 154216 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 484 | 5 | 1 | 6 | 3.6 | COC(=O)c1cc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)oc1C | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL400114 | 154216 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 484 | 5 | 1 | 6 | 3.6 | COC(=O)c1cc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)oc1C | 10.1016/j.bmcl.2007.09.087 | ||
| 24983506 | 154232 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 516 | 6 | 1 | 7 | 3.7 | COC(=O)c1csc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c1OC | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL400164 | 154232 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 516 | 6 | 1 | 7 | 3.7 | COC(=O)c1csc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c1OC | 10.1016/j.bmcl.2007.09.087 | ||
| 25033310 | 154233 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 563 | 5 | 1 | 6 | 5.6 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL400165 | 154233 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 563 | 5 | 1 | 6 | 5.6 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 16090695 | 140951 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 460 | 4 | 1 | 6 | 3.3 | C[C@H]1COC[C@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1021/jm060590x | ||
| CHEMBL384457 | 140951 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 460 | 4 | 1 | 6 | 3.3 | C[C@H]1COC[C@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1021/jm060590x | ||
| 16090699 | 141372 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 463 | 8 | 4 | 4 | 3.4 | O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1NS(=O)(=O)c1cc2ccccc2[nH]1 | 10.1021/jm060590x | ||
| CHEMBL386985 | 141372 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 463 | 8 | 4 | 4 | 3.4 | O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1NS(=O)(=O)c1cc2ccccc2[nH]1 | 10.1021/jm060590x | ||
| 25033065 | 159583 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 493 | 4 | 1 | 5 | 4.8 | Cc1nc2cccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)c2s1 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL410905 | 159583 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 493 | 4 | 1 | 5 | 4.8 | Cc1nc2cccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)c2s1 | 10.1016/j.bmc.2008.01.059 | ||
| 118719285 | 114971 | 0 | None | -1 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 733 | 15 | 5 | 7 | 4.7 | CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)c1ccccc1 | 10.1021/jm00053a022 | ||
| CHEMBL3351057 | 114971 | 0 | None | -1 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 733 | 15 | 5 | 7 | 4.7 | CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)c1ccccc1 | 10.1021/jm00053a022 | ||
| 10439779 | 106191 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 710 | 11 | 7 | 8 | 2.2 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL3143501 | 106191 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 710 | 11 | 7 | 8 | 2.2 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| 9985629 | 167485 | 0 | None | 41 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 577 | 8 | 3 | 3 | 6.1 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Br)cc1 | 10.1021/jm00072a005 | ||
| CHEMBL432389 | 167485 | 0 | None | 41 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 577 | 8 | 3 | 3 | 6.1 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Br)cc1 | 10.1021/jm00072a005 | ||
| CHEMBL353862 | 209971 | 0 | None | -1 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1 | 10.1016/S0960-894X(00)80678-2 | ||||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm051219x | ||
| 10698813 | 11522 | 0 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 599 | 7 | 2 | 5 | 4.6 | CC(=O)N1[C@H](C(=O)N[C@H](C)C(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL118096 | 11522 | 0 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 599 | 7 | 2 | 5 | 4.6 | CC(=O)N1[C@H](C(=O)N[C@H](C)C(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 10579209 | 109897 | 0 | None | - | 1 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 585 | 7 | 2 | 5 | 4.2 | CC(=O)N1[C@@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@@H]1C(=O)NCC(=O)O | 10.1021/jm000960w | ||
| CHEMBL324367 | 109897 | 0 | None | - | 1 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 585 | 7 | 2 | 5 | 4.2 | CC(=O)N1[C@@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@@H]1C(=O)NCC(=O)O | 10.1021/jm000960w | ||
| 9853654 | 22573 | 37 | None | 31 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/0960-894X(95)00435-V | ||
| CHEMBL1328 | 22573 | 37 | None | 31 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/0960-894X(95)00435-V | ||
| 44357208 | 118465 | 0 | None | 4 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 737 | 10 | 5 | 5 | 6.7 | O=C(O)c1cc(NC(=O)[C@H](NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)c2ccccc2)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL342465 | 118465 | 0 | None | 4 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 737 | 10 | 5 | 5 | 6.7 | O=C(O)c1cc(NC(=O)[C@H](NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)c2ccccc2)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 10075052 | 189072 | 0 | None | -10 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 510 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm801439x | ||
| CHEMBL515268 | 189072 | 0 | None | -10 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 510 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm801439x | ||
| CHEMBL515288 | 189072 | 0 | None | -10 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 510 | 3 | 2 | 3 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm801439x | ||
| 15249830 | 101452 | 0 | None | 15 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 441 | 4 | 2 | 2 | 4.9 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm9508907 | ||
| CHEMBL301095 | 101452 | 0 | None | 15 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 441 | 4 | 2 | 2 | 4.9 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm9508907 | ||
| 44347142 | 113619 | 0 | None | 15 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 441 | 4 | 2 | 2 | 4.8 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3 | 10.1021/jm00048a001 | ||
| CHEMBL332873 | 113619 | 0 | None | 15 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 441 | 4 | 2 | 2 | 4.8 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3 | 10.1021/jm00048a001 | ||
| CHEMBL3350720 | 209732 | 0 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00174a016 | ||||
| CHEMBL216831 | 207588 | 0 | None | 29 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||||
| 44280576 | 162700 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL418593 | 162700 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 10393515 | 108206 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 585 | 11 | 2 | 5 | 5.7 | CCOC(=O)CN(CCc1ccccc1)C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00072a005 | ||
| CHEMBL320823 | 108206 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 585 | 11 | 2 | 5 | 5.7 | CCOC(=O)CN(CCc1ccccc1)C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 | 10.1021/jm00072a005 | ||
| 44351415 | 167814 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 634 | 9 | 3 | 6 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](OCc2cccc(Cl)c2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL434631 | 167814 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 634 | 9 | 3 | 6 | 5.3 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](OCc2cccc(Cl)c2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 44408632 | 157680 | 0 | None | -2454 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1212 | 31 | 12 | 15 | 3.8 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL408832 | 157680 | 0 | None | -2454 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1212 | 31 | 12 | 15 | 3.8 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| 44580898 | 187768 | 0 | None | -5 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 973 | 16 | 8 | 14 | 1.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL501238 | 187768 | 0 | None | -5 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 973 | 16 | 8 | 14 | 1.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| 44356888 | 118351 | 0 | None | 35 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 765 | 12 | 5 | 5 | 7.0 | O=C(O)c1cc(NC(=O)[C@@H](CCc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL342205 | 118351 | 0 | None | 35 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 765 | 12 | 5 | 5 | 7.0 | O=C(O)c1cc(NC(=O)[C@@H](CCc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL3350331 | 209717 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00174a016 | ||||
| CHEMBL320868 | 209473 | 0 | None | -70 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||||
| 15513854 | 114296 | 0 | None | - | 1 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 635 | 7 | 2 | 6 | 5.1 | COC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL334054 | 114296 | 0 | None | - | 1 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 635 | 7 | 2 | 6 | 5.1 | COC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL3351048 | 209776 | 0 | None | 5 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||||
| 9984452 | 29486 | 0 | None | - | 1 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL138657 | 29486 | 0 | None | - | 1 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 529 | 9 | 4 | 4 | 4.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 11511721 | 75734 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 502 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)C[C@@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL205751 | 75734 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 502 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)C[C@@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 11663565 | 75828 | 0 | None | 15 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 5.5 | CN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL205831 | 75828 | 0 | None | 15 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 5.5 | CN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 16731537 | 85074 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 571 | 8 | 2 | 6 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc3c2ccn3CC(=O)O)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL227277 | 85074 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 571 | 8 | 2 | 6 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc3c2ccn3CC(=O)O)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 44351469 | 116422 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 603 | 7 | 3 | 4 | 6.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CC(c2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338526 | 116422 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 603 | 7 | 3 | 4 | 6.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CC(c2ccc(Cl)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL3400294 | 209873 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2015.02.028 | ||||
| 10257865 | 206686 | 3 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL99939 | 206686 | 3 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1021/jm00072a005 | ||
| 16733463 | 13874 | 0 | None | 1380 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 547 | 9 | 3 | 6 | 5.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(NCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL1197033 | 13874 | 0 | None | 1380 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 547 | 9 | 3 | 6 | 5.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(NCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL559157 | 13874 | 0 | None | 1380 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 547 | 9 | 3 | 6 | 5.0 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(NCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 10623068 | 112330 | 0 | None | 89 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 442 | 6 | 2 | 3 | 4.7 | CCCCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL330854 | 112330 | 0 | None | 89 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 442 | 6 | 2 | 3 | 4.7 | CCCCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| 45486936 | 195286 | 0 | None | 25 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 640 | 8 | 3 | 6 | 5.1 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| CHEMBL566574 | 195286 | 0 | None | 25 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 640 | 8 | 3 | 6 | 5.1 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| 45486976 | 197284 | 0 | None | 39 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 656 | 8 | 3 | 7 | 4.6 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| CHEMBL585157 | 197284 | 0 | None | 39 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 656 | 8 | 3 | 7 | 4.6 | O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.065 | ||
| 44451622 | 95457 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 562 | 9 | 2 | 5 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CCC(=O)O)c2)C(=O)N(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL259276 | 95457 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 562 | 9 | 2 | 5 | 5.5 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CCC(=O)O)c2)C(=O)N(C2CCCCC2)c2ccccc21 | 10.1016/j.bmc.2007.12.047 | ||
| 44346355 | 157313 | 0 | None | 30 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1260 | 26 | 13 | 15 | 1.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||
| CHEMBL408389 | 157313 | 0 | None | 30 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1260 | 26 | 13 | 15 | 1.7 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||
| CHEMBL2370588 | 208117 | 0 | None | 446 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||||
| 10257865 | 206686 | 3 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL99939 | 206686 | 3 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 591 | 10 | 3 | 4 | 5.8 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O | 10.1021/jm00072a005 | ||
| 44351444 | 116373 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 622 | 8 | 3 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338300 | 116373 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 622 | 8 | 3 | 6 | 4.8 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 11643045 | 71779 | 0 | None | 43 | 3 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 511 | 9 | 3 | 3 | 6.8 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(CCC(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL197873 | 71779 | 0 | None | 43 | 3 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 511 | 9 | 3 | 3 | 6.8 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(CCC(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| 10793611 | 15310 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 594 | 7 | 2 | 4 | 7.2 | CSc1cccc(NC(=O)NC2C(=O)N(CCC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL121624 | 15310 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 594 | 7 | 2 | 4 | 7.2 | CSc1cccc(NC(=O)NC2C(=O)N(CCC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 | 10.1021/jm990967h | ||
| CHEMBL1171596 | 206827 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 14802539 | 76184 | 1 | None | - | 1 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL2062144 | 76184 | 1 | None | - | 1 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1 | 10.1021/jm00087a011 | ||
| 11495719 | 70015 | 0 | None | -30 | 3 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 431 | 7 | 3 | 3 | 5.8 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC2CCCCC2)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL194514 | 70015 | 0 | None | -30 | 3 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 431 | 7 | 3 | 3 | 5.8 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC2CCCCC2)[nH]1 | 10.1021/jm0490686 | ||
| 73354642 | 89014 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 646 | 11 | 7 | 6 | 1.6 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL2371225 | 89014 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 646 | 11 | 7 | 6 | 1.6 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80686-1 | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(00)80686-1 | ||
| 10793449 | 168087 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL436382 | 168087 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)O | 10.1021/jm970439a | ||
| 10650978 | 116125 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL336965 | 116125 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)O | 10.1021/jm970439a | ||
| 45486940 | 197197 | 0 | None | 31 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 550 | 8 | 3 | 7 | 4.2 | O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL584259 | 197197 | 0 | None | 31 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 550 | 8 | 3 | 7 | 4.2 | O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 11363566 | 80634 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 476 | 4 | 1 | 6 | 2.7 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| CHEMBL215416 | 80634 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 476 | 4 | 1 | 6 | 2.7 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1 | 10.1021/jm060590x | ||
| 11385416 | 82067 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 4 | 1 | 6 | 4.2 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCCC1 | 10.1021/jm060590x | ||
| CHEMBL217720 | 82067 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 4 | 1 | 6 | 4.2 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCCC1 | 10.1021/jm060590x | ||
| 16090797 | 82156 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 512 | 5 | 1 | 6 | 5.2 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCC(c2ccccc2)CC1 | 10.1021/jm060590x | ||
| CHEMBL217878 | 82156 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 512 | 5 | 1 | 6 | 5.2 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCC(c2ccccc2)CC1 | 10.1021/jm060590x | ||
| 44417427 | 96166 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 475 | 4 | 1 | 6 | 3.2 | O=C(c1ccc(Br)nc1NS(=O)(=O)c1cccc2nccnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL263475 | 96166 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 475 | 4 | 1 | 6 | 3.2 | O=C(c1ccc(Br)nc1NS(=O)(=O)c1cccc2nccnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 11454197 | 141320 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 470 | 4 | 1 | 6 | 4.1 | O=C(c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL386598 | 141320 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 470 | 4 | 1 | 6 | 4.1 | O=C(c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 11465671 | 95910 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 474 | 4 | 1 | 5 | 3.8 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL261682 | 95910 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 474 | 4 | 1 | 5 | 3.8 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| 45486941 | 195079 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 516 | 7 | 2 | 6 | 4.2 | O=C(NCCc1ccccc1)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL565325 | 195079 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 516 | 7 | 2 | 6 | 4.2 | O=C(NCCc1ccccc1)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 45486968 | 195783 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 550 | 8 | 3 | 7 | 4.2 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL569848 | 195783 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 550 | 8 | 3 | 7 | 4.2 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 11627917 | 195843 | 0 | None | -7 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 530 | 7 | 2 | 6 | 4.8 | CC(CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL570163 | 195843 | 0 | None | -7 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 530 | 7 | 2 | 6 | 4.8 | CC(CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 | 10.1016/j.bmcl.2009.09.064 | ||
| 25033224 | 94035 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 524 | 4 | 1 | 3 | 5.5 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL251467 | 94035 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 524 | 4 | 1 | 3 | 5.5 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 11316421 | 81974 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.1 | COc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 | 10.1021/jm060590x | ||
| CHEMBL217270 | 81974 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.1 | COc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 | 10.1021/jm060590x | ||
| 16090653 | 81991 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 4 | 1 | 6 | 3.3 | C[C@H]1COC[C@@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1021/jm060590x | ||
| CHEMBL217373 | 81991 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 4 | 1 | 6 | 3.3 | C[C@H]1COC[C@@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1021/jm060590x | ||
| 44404001 | 11813 | 0 | None | 6 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 635 | 11 | 6 | 6 | 4.5 | O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2nc[nH]c2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(CO)cc(CO)c1 | 10.1021/jm049069y | ||
| CHEMBL1182744 | 11813 | 0 | None | 6 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 635 | 11 | 6 | 6 | 4.5 | O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2nc[nH]c2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(CO)cc(CO)c1 | 10.1021/jm049069y | ||
| CHEMBL2067969 | 11813 | 0 | None | 6 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 635 | 11 | 6 | 6 | 4.5 | O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2nc[nH]c2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(CO)cc(CO)c1 | 10.1021/jm049069y | ||
| 11535277 | 12158 | 0 | None | 10 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 513 | 8 | 4 | 4 | 5.9 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccccc3)nc2CCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL1184817 | 12158 | 0 | None | 10 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 513 | 8 | 4 | 4 | 5.9 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccccc3)nc2CCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| CHEMBL2067964 | 12158 | 0 | None | 10 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 513 | 8 | 4 | 4 | 5.9 | O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccccc3)nc2CCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm049069y | ||
| 45486967 | 195737 | 0 | None | -39 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 472 | 7 | 2 | 6 | 4.1 | O=C(NCCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL569616 | 195737 | 0 | None | -39 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 472 | 7 | 2 | 6 | 4.1 | O=C(NCCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 44445283 | 93709 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 561 | 7 | 2 | 5 | 4.9 | O=C(NCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)s1)c1ccccc1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL249452 | 93709 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 561 | 7 | 2 | 5 | 4.9 | O=C(NCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)s1)c1ccccc1 | 10.1016/j.bmcl.2007.09.087 | ||
| 11568611 | 71620 | 0 | None | -6 | 3 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 6 | 3 | 3 | 5.8 | CC(C)(C)c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL197370 | 71620 | 0 | None | -6 | 3 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 6 | 3 | 3 | 5.8 | CC(C)(C)c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL3351051 | 209779 | 0 | None | 17 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cccc2ccccc12)NC)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||||
| 4595 | 176131 | 102 | None | -6 | 15 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | 10.1021/jm00075a026 | ||
| CHEMBL46 | 176131 | 102 | None | -6 | 15 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | 10.1021/jm00075a026 | ||
| 46235271 | 73286 | 2 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL2017835 | 73286 | 2 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 649 | 7 | 1 | 6 | 6.7 | Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1 | 10.1021/acs.jmedchem.5b01110 | ||
| 9867157 | 99765 | 4 | None | -194 | 2 | Mouse | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 426 | 9 | 3 | 4 | 2.3 | O=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80008-6 | ||
| CHEMBL288641 | 99765 | 4 | None | -194 | 2 | Mouse | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 426 | 9 | 3 | 4 | 2.3 | O=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(00)80008-6 | ||
| 108187 | 911 | 30 | None | -295 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970439a | ||
| 873 | 911 | 30 | None | -295 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970439a | ||
| CHEMBL2062154 | 911 | 30 | None | -295 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970439a | ||
| CHEMBL287735 | 911 | 30 | None | -295 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 614 | 12 | 5 | 5 | 4.9 | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O | 10.1021/jm970439a | ||
| 44580899 | 188477 | 0 | None | -4 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1001 | 19 | 8 | 14 | 1.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL509792 | 188477 | 0 | None | -4 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1001 | 19 | 8 | 14 | 1.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL330785 | 209579 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C | 10.1021/jm0000416 | ||||
| 10676212 | 115496 | 0 | None | 489 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 701 | 8 | 4 | 5 | 5.9 | O=C(O)c1cc(NC(=O)[C@H]2CCCN2C(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL335587 | 115496 | 0 | None | 489 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 701 | 8 | 4 | 5 | 5.9 | O=C(O)c1cc(NC(=O)[C@H]2CCCN2C(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 44451519 | 95300 | 0 | None | 58 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 518 | 6 | 1 | 4 | 6.1 | Cc1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCCC3)C2=O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL258486 | 95300 | 0 | None | 58 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 518 | 6 | 1 | 4 | 6.1 | Cc1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCCC3)C2=O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| 16732753 | 143442 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 552 | 8 | 2 | 5 | 5.7 | Cc1ccccc1C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL390276 | 143442 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 552 | 8 | 2 | 5 | 5.7 | Cc1ccccc1C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| 44212230 | 4180 | 0 | None | 208 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 572 | 8 | 1 | 5 | 5.9 | CC(C)CCN1C(=O)C(NC(=O)Oc2cccc(N(C)C)c2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| CHEMBL100509 | 4180 | 0 | None | 208 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 572 | 8 | 1 | 5 | 5.9 | CC(C)CCN1C(=O)C(NC(=O)Oc2cccc(N(C)C)c2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21 | 10.1016/S0960-894X(96)00544-6 | ||
| 9986662 | 101545 | 6 | None | 977 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 643 | 11 | 6 | 6 | 4.8 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL301777 | 101545 | 6 | None | 977 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 643 | 11 | 6 | 6 | 4.8 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC2CCCCCC2)cc(C(=O)O)c1 | 10.1021/jm9508907 | ||
| CHEMBL120452 | 206850 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C | 10.1021/jm0000416 | ||||
| 5311201 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL9387 | 205653 | 30 | None | -27 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | 10.1021/jm051219x | ||
| 10695854 | 113491 | 0 | None | 25 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 474 | 6 | 2 | 3 | 5.1 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2F)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL332646 | 113491 | 0 | None | 25 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 474 | 6 | 2 | 3 | 5.1 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2F)c2ccccc21 | 10.1021/jm990967h | ||
| 145978895 | 165901 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1063 | 32 | 12 | 10 | 0.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)C[Se]c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| CHEMBL4278080 | 165901 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1063 | 32 | 12 | 10 | 0.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)C[Se]c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.8b01320 | ||
| 10795162 | 118520 | 0 | None | 630 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 751 | 11 | 5 | 5 | 6.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL2067970 | 118520 | 0 | None | 630 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 751 | 11 | 5 | 5 | 6.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL342616 | 118520 | 0 | None | 630 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 751 | 11 | 5 | 5 | 6.6 | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 11605814 | 75062 | 0 | None | -6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 503 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL204154 | 75062 | 0 | None | -6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 503 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 10818497 | 25633 | 0 | None | 58 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 701 | 8 | 4 | 5 | 5.9 | O=C(O)c1cc(NC(=O)[C@@H]2CCCN2C(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL135344 | 25633 | 0 | None | 58 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 701 | 8 | 4 | 5 | 5.9 | O=C(O)c1cc(NC(=O)[C@@H]2CCCN2C(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 44357069 | 155140 | 0 | None | 147 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 675 | 9 | 5 | 5 | 5.4 | C[C@@H](NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| CHEMBL405062 | 155140 | 0 | None | 147 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 675 | 9 | 5 | 5 | 5.4 | C[C@@H](NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 | 10.1021/jm00021a019 | ||
| 52949124 | 861 | 2 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 9055 | 861 | 2 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| CHEMBL1269258 | 861 | 2 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| DB12694 | 861 | 2 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 594 | 8 | 1 | 5 | 6.5 | CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C | 10.1021/acs.jmedchem.5b01110 | ||
| 10072464 | 109245 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 2.8 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80669-1 | ||
| CHEMBL32301 | 109245 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 2.8 | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/S0960-894X(00)80669-1 | ||
| 44580899 | 188477 | 0 | None | -4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1001 | 19 | 8 | 14 | 1.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL509792 | 188477 | 0 | None | -4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1001 | 19 | 8 | 14 | 1.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| 16100407 | 82245 | 0 | None | -112 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL217957 | 82245 | 0 | None | -112 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1132 | 28 | 13 | 13 | 1.7 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL3351050 | 209778 | 0 | None | 33 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12 | 10.1021/jm00053a022 | ||||
| CHEMBL171594 | 207095 | 0 | None | 33 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1016/S0960-894X(00)80678-2 | ||||
| 10482868 | 106907 | 0 | None | -5 | 5 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 557 | 10 | 3 | 4 | 5.2 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL317999 | 106907 | 0 | None | -5 | 5 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 557 | 10 | 3 | 4 | 5.2 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1021/jm00072a005 | ||
| 118719284 | 114970 | 0 | None | 72 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 739 | 15 | 5 | 7 | 4.9 | CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C1CCCCC1 | 10.1021/jm00053a022 | ||
| CHEMBL3351056 | 114970 | 0 | None | 72 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 739 | 15 | 5 | 7 | 4.9 | CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C1CCCCC1 | 10.1021/jm00053a022 | ||
| 11663308 | 76377 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 497 | 7 | 2 | 5 | 5.0 | CNc1cccc(NC(=O)CN2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL206709 | 76377 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 497 | 7 | 2 | 5 | 5.0 | CNc1cccc(NC(=O)CN2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 44351454 | 116305 | 0 | None | -1 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 712 | 8 | 3 | 6 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(I)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL337933 | 116305 | 0 | None | -1 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 712 | 8 | 3 | 6 | 5.1 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc(I)cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 10604230 | 114700 | 0 | None | 5 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 645 | 10 | 4 | 4 | 4.8 | O=C(O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00021a019 | ||
| CHEMBL334523 | 114700 | 0 | None | 5 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 645 | 10 | 4 | 4 | 4.8 | O=C(O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00021a019 | ||
| 44351446 | 155588 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 631 | 9 | 3 | 8 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL406359 | 155588 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 631 | 9 | 3 | 8 | 4.4 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 15297879 | 113943 | 0 | None | - | 1 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 5 | 3 | 2 | 4.4 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCCc1c[nH]c2ccccc12 | 10.1021/jm00048a001 | ||
| CHEMBL333409 | 113943 | 0 | None | - | 1 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 5 | 3 | 2 | 4.4 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCCc1c[nH]c2ccccc12 | 10.1021/jm00048a001 | ||
| 44580900 | 187846 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1057 | 23 | 8 | 14 | 2.6 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL502398 | 187846 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1057 | 23 | 8 | 14 | 2.6 | CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm800174p | ||
| CHEMBL3351061 | 209786 | 0 | None | 4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||||
| 16100410 | 141254 | 0 | None | -7079 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL386212 | 141254 | 0 | None | -7079 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| 44351413 | 17951 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 636 | 8 | 3 | 6 | 5.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2cccc3ccccc23)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL126957 | 17951 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 636 | 8 | 3 | 6 | 5.7 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2cccc3ccccc23)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 11541870 | 71092 | 0 | None | -10 | 3 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 433 | 7 | 3 | 3 | 5.4 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| CHEMBL196141 | 71092 | 0 | None | -10 | 3 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 433 | 7 | 3 | 3 | 5.4 | O=C(O)c1cccc(NC(=O)c2[nH]c(C3CC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 | 10.1021/jm0490686 | ||
| 44346825 | 114262 | 0 | None | 77 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 623 | 8 | 3 | 4 | 4.7 | C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)O | 10.1021/jm00048a001 | ||
| CHEMBL333920 | 114262 | 0 | None | 77 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 623 | 8 | 3 | 4 | 4.7 | C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)O | 10.1021/jm00048a001 | ||
| 44280155 | 102422 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL30605 | 102422 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 10325110 | 111482 | 0 | None | 29 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 544 | 9 | 3 | 5 | 5.3 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc([N+](=O)[O-])cc1 | 10.1021/jm00072a005 | ||
| CHEMBL328852 | 111482 | 0 | None | 29 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 544 | 9 | 3 | 5 | 5.3 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc([N+](=O)[O-])cc1 | 10.1021/jm00072a005 | ||
| 45486949 | 195260 | 0 | None | 50 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 516 | 8 | 3 | 7 | 3.6 | O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL566390 | 195260 | 0 | None | 50 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 516 | 8 | 3 | 7 | 3.6 | O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 11464858 | 81148 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 440 | 4 | 1 | 7 | 3.3 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCSC1 | 10.1021/jm060590x | ||
| CHEMBL216233 | 81148 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 440 | 4 | 1 | 7 | 3.3 | O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCSC1 | 10.1021/jm060590x | ||
| 25033148 | 95562 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.5 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2scnc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL259762 | 95562 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.5 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2scnc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| 44280575 | 96203 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL263803 | 96203 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 11801461 | 116471 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccccc2)C[C@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL338752 | 116471 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccccc2)C[C@H]1C(=O)O | 10.1021/jm970439a | ||
| 10698109 | 106799 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 560 | 8 | 1 | 4 | 5.8 | CC(C)N(C(=O)CN1C(=O)C(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL317181 | 106799 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 560 | 8 | 1 | 4 | 5.8 | CC(C)N(C(=O)CN1C(=O)C(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 | 10.1016/j.bmc.2007.12.047 | ||
| 25033225 | 94037 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 540 | 4 | 1 | 4 | 5.4 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1sc(Cl)cc1Br)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL251486 | 94037 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 540 | 4 | 1 | 4 | 5.4 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1sc(Cl)cc1Br)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 11271596 | 81855 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 480 | 4 | 1 | 6 | 3.9 | O=C(c1cc(Br)ccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL217169 | 81855 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 480 | 4 | 1 | 6 | 3.9 | O=C(c1cc(Br)ccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 11442229 | 141252 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 446 | 4 | 1 | 6 | 2.9 | C[C@H]1COCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1021/jm060590x | ||
| CHEMBL386209 | 141252 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 446 | 4 | 1 | 6 | 2.9 | C[C@H]1COCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 | 10.1021/jm060590x | ||
| 16090784 | 141370 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 4 | 1 | 4 | 4.4 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2ncccc12)N1CCCCC1 | 10.1021/jm060590x | ||
| CHEMBL386976 | 141370 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 4 | 1 | 4 | 4.4 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2ncccc12)N1CCCCC1 | 10.1021/jm060590x | ||
| 25032468 | 95901 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 477 | 4 | 1 | 6 | 3.2 | Cn1nc2cccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)c2n1 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL261636 | 95901 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 477 | 4 | 1 | 6 | 3.2 | Cn1nc2cccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)c2n1 | 10.1016/j.bmc.2008.01.059 | ||
| 16090784 | 141370 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 4 | 1 | 4 | 4.4 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2ncccc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL386976 | 141370 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 4 | 1 | 4 | 4.4 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2ncccc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| 25033150 | 159357 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.5 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2ncsc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| CHEMBL410708 | 159357 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.5 | O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2ncsc12)N1CCCCC1 | 10.1016/j.bmc.2008.01.059 | ||
| 9869202 | 71717 | 0 | None | 3 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 467 | 6 | 3 | 3 | 6.7 | O=C(O)c1cccc(NC(=O)c2[nH]c(-c3ccc4ccccc4c3)nc2CC2CCCCCC2)c1 | 10.1021/jm049069y | ||
| CHEMBL197716 | 71717 | 0 | None | 3 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 467 | 6 | 3 | 3 | 6.7 | O=C(O)c1cccc(NC(=O)c2[nH]c(-c3ccc4ccccc4c3)nc2CC2CCCCCC2)c1 | 10.1021/jm049069y | ||
| CHEMBL2067960 | 71717 | 0 | None | 3 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 467 | 6 | 3 | 3 | 6.7 | O=C(O)c1cccc(NC(=O)c2[nH]c(-c3ccc4ccccc4c3)nc2CC2CCCCCC2)c1 | 10.1021/jm049069y | ||
| 11512151 | 195101 | 0 | None | -158 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 534 | 7 | 2 | 6 | 5.5 | CC(C)(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL565511 | 195101 | 0 | None | -158 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 534 | 7 | 2 | 6 | 5.5 | CC(C)(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.09.064 | ||
| 45487003 | 195903 | 0 | None | -100 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 540 | 7 | 2 | 6 | 5.4 | O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| CHEMBL570521 | 195903 | 0 | None | -100 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 540 | 7 | 2 | 6 | 5.4 | O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 | 10.1016/j.bmcl.2009.09.064 | ||
| 25033382 | 93710 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 630 | 6 | 1 | 6 | 6.4 | COC(=O)c1sc(C(F)(F)F)c(-c2ccccc2)c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL249468 | 93710 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 630 | 6 | 1 | 6 | 6.4 | COC(=O)c1sc(C(F)(F)F)c(-c2ccccc2)c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1 | 10.1016/j.bmcl.2007.09.087 | ||
| 25033384 | 94070 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 504 | 5 | 1 | 6 | 4.2 | Cc1nnc(-c2cccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)c2)o1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL251653 | 94070 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 504 | 5 | 1 | 6 | 4.2 | Cc1nnc(-c2cccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)c2)o1 | 10.1016/j.bmcl.2007.09.087 | ||
| 25033383 | 166851 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 502 | 5 | 1 | 5 | 4.4 | Cc1c(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)cnn1-c1ccccc1 | 10.1016/j.bmcl.2007.09.087 | ||
| CHEMBL429662 | 166851 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 502 | 5 | 1 | 5 | 4.4 | Cc1c(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)cnn1-c1ccccc1 | 10.1016/j.bmcl.2007.09.087 | ||
| 11292979 | 81638 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 417 | 4 | 2 | 7 | 2.7 | Nc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 | 10.1021/jm060590x | ||
| CHEMBL216559 | 81638 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 417 | 4 | 2 | 7 | 2.7 | Nc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 | 10.1021/jm060590x | ||
| 16090789 | 82823 | 0 | None | -3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 521 | 6 | 2 | 7 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1)c1ccccc1 | 10.1021/jm060590x | ||
| CHEMBL218729 | 82823 | 0 | None | -3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 521 | 6 | 2 | 7 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1)c1ccccc1 | 10.1021/jm060590x | ||
| 11799257 | 112955 | 0 | None | 32 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 490 | 6 | 2 | 3 | 5.1 | O=C(Nc1ccccc1)NC1C(=O)N(CCc2ccccc2)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL331929 | 112955 | 0 | None | 32 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 490 | 6 | 2 | 3 | 5.1 | O=C(Nc1ccccc1)NC1C(=O)N(CCc2ccccc2)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 5311347 | 32792 | 3 | None | - | 1 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL141630 | 32792 | 3 | None | - | 1 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 557 | 10 | 4 | 4 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 10480793 | 114913 | 0 | None | - | 1 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL3350395 | 114913 | 0 | None | - | 1 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 491 | 9 | 4 | 4 | 4.5 | C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 | 10.1021/jm00087a011 | ||
| 11540402 | 138261 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 488 | 6 | 1 | 4 | 5.8 | Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| CHEMBL378098 | 138261 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 488 | 6 | 1 | 4 | 5.8 | Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 | 10.1021/jm051219x | ||
| 10439779 | 106191 | 0 | None | -1 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 710 | 11 | 7 | 8 | 2.2 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| CHEMBL3143501 | 106191 | 0 | None | -1 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 710 | 11 | 7 | 8 | 2.2 | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O | 10.1021/jm9603072 | ||
| 118719287 | 114972 | 0 | None | 6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 727 | 17 | 4 | 7 | 4.8 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cccc2ccccc12)N(C)C)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||
| CHEMBL3351059 | 114972 | 0 | None | 6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 727 | 17 | 4 | 7 | 4.8 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cccc2ccccc12)N(C)C)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C | 10.1021/jm00053a022 | ||
| 118719251 | 114957 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 600 | 11 | 5 | 5 | 4.6 | CC1(C)C2CCC1(C)[C@@H](OC(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)/C=C/C(=O)O)c1ccccc1)C2 | 10.1021/jm00087a011 | ||
| CHEMBL3351015 | 114957 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 600 | 11 | 5 | 5 | 4.6 | CC1(C)C2CCC1(C)[C@@H](OC(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)/C=C/C(=O)O)c1ccccc1)C2 | 10.1021/jm00087a011 | ||
| 44280595 | 117456 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL34037 | 117456 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 15024387 | 114911 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 515 | 9 | 4 | 4 | 4.4 | O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm00087a011 | ||
| CHEMBL3350393 | 114911 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 515 | 9 | 4 | 4 | 4.4 | O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm00087a011 | ||
| 9869202 | 71717 | 0 | None | 3 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 467 | 6 | 3 | 3 | 6.7 | O=C(O)c1cccc(NC(=O)c2[nH]c(-c3ccc4ccccc4c3)nc2CC2CCCCCC2)c1 | 10.1021/jm0490686 | ||
| CHEMBL197716 | 71717 | 0 | None | 3 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 467 | 6 | 3 | 3 | 6.7 | O=C(O)c1cccc(NC(=O)c2[nH]c(-c3ccc4ccccc4c3)nc2CC2CCCCCC2)c1 | 10.1021/jm0490686 | ||
| CHEMBL2067960 | 71717 | 0 | None | 3 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 467 | 6 | 3 | 3 | 6.7 | O=C(O)c1cccc(NC(=O)c2[nH]c(-c3ccc4ccccc4c3)nc2CC2CCCCCC2)c1 | 10.1021/jm0490686 | ||
| 11679213 | 133007 | 0 | None | -8 | 3 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 497 | 7 | 3 | 3 | 6.8 | Cc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| CHEMBL370882 | 133007 | 0 | None | -8 | 3 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 497 | 7 | 3 | 3 | 6.8 | Cc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 | 10.1021/jm0490686 | ||
| 9850043 | 112362 | 1 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| CHEMBL330977 | 112362 | 1 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 534 | 5 | 2 | 3 | 6.1 | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O | 10.1021/jm990967h | ||
| 44356654 | 27884 | 0 | None | -1 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 691 | 9 | 3 | 3 | 7.8 | Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1C | 10.1021/jm00021a019 | ||
| CHEMBL137308 | 27884 | 0 | None | -1 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 691 | 9 | 3 | 3 | 7.8 | Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1C | 10.1021/jm00021a019 | ||
| 11685703 | 71561 | 0 | None | -316 | 3 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 391 | 7 | 3 | 3 | 4.9 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC(C)C)[nH]1 | 10.1021/jm0490686 | ||
| CHEMBL197205 | 71561 | 0 | None | -316 | 3 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 391 | 7 | 3 | 3 | 4.9 | Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC(C)C)[nH]1 | 10.1021/jm0490686 | ||
| 44357045 | 26355 | 0 | None | -85 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1012 | 28 | 9 | 13 | 0.7 | CSCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| CHEMBL136096 | 26355 | 0 | None | -85 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1012 | 28 | 9 | 13 | 0.7 | CSCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm970477u | ||
| CHEMBL2369815 | 207938 | 0 | None | -85 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCSC)C(=O)N[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||||
| CHEMBL333477 | 209636 | 0 | None | -19 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1021/jm9603072 | ||||
| 10323690 | 100019 | 0 | None | 21 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00072a005 | ||
| CHEMBL2114401 | 100019 | 0 | None | 21 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00072a005 | ||
| CHEMBL291033 | 100019 | 0 | None | 21 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 499 | 8 | 3 | 3 | 5.4 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 | 10.1021/jm00072a005 | ||
| 10324322 | 107206 | 0 | None | 43 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 4.7 | CC(Cc1ccccc1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL319085 | 107206 | 0 | None | 43 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 4.7 | CC(Cc1ccccc1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(=O)O | 10.1021/jm00072a005 | ||
| 44356826 | 118788 | 0 | None | 19 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 781 | 12 | 5 | 6 | 6.6 | COc1ccc(C[C@@H](NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1 | 10.1021/jm00021a019 | ||
| CHEMBL344014 | 118788 | 0 | None | 19 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 781 | 12 | 5 | 6 | 6.6 | COc1ccc(C[C@@H](NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1 | 10.1021/jm00021a019 | ||
| 443375 | 205862 | 40 | None | -316 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| CHEMBL9506 | 205862 | 40 | None | -316 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm990967h | ||
| 10698746 | 116272 | 0 | None | 3 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 595 | 7 | 3 | 4 | 4.0 | O=C(O)CNC(=O)[C@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 | 10.1021/jm00021a019 | ||
| CHEMBL337743 | 116272 | 0 | None | 3 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 595 | 7 | 3 | 4 | 4.0 | O=C(O)CNC(=O)[C@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 | 10.1021/jm00021a019 | ||
| 10794691 | 116548 | 0 | None | -1 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 684 | 10 | 5 | 4 | 5.3 | O=C(O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00021a019 | ||
| CHEMBL339177 | 116548 | 0 | None | -1 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 684 | 10 | 5 | 4 | 5.3 | O=C(O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00021a019 | ||
| 9985004 | 205874 | 0 | None | 26 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 549 | 8 | 3 | 3 | 6.5 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1cccc2ccccc12 | 10.1021/jm00072a005 | ||
| CHEMBL95115 | 205874 | 0 | None | 26 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 549 | 8 | 3 | 3 | 6.5 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1cccc2ccccc12 | 10.1021/jm00072a005 | ||
| 44425005 | 141910 | 0 | None | 79 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 478 | 7 | 2 | 5 | 4.2 | CC(C)C1=NN(CC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(CC(=O)C(C)(C)C)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL389019 | 141910 | 0 | None | 79 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 478 | 7 | 2 | 5 | 4.2 | CC(C)C1=NN(CC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(CC(=O)C(C)(C)C)c2ccccc21 | 10.1021/jm070139l | ||
| 10651206 | 114578 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 599 | 8 | 2 | 5 | 4.6 | CC(=O)N1[C@H](C(=O)NCCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL334320 | 114578 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 599 | 8 | 2 | 5 | 4.6 | CC(=O)N1[C@H](C(=O)NCCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 44296980 | 101539 | 0 | None | 9 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 538 | 5 | 2 | 3 | 4.9 | O=C(NCC12CC3CC(CC(C3)C1)C2)C1C2c3ccccc3C(c3ccccc32)C1C(=O)N1CCC[C@@H]1C(=O)O | 10.1021/jm9508907 | ||
| CHEMBL301740 | 101539 | 0 | None | 9 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 538 | 5 | 2 | 3 | 4.9 | O=C(NCC12CC3CC(CC(C3)C1)C2)C1C2c3ccccc3C(c3ccccc32)C1C(=O)N1CCC[C@@H]1C(=O)O | 10.1021/jm9508907 | ||
| 44346952 | 113601 | 0 | None | 9 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 538 | 5 | 2 | 3 | 4.8 | O=C(NCC1C2CC3CC(C2)CC1C3)C1C2c3ccccc3C(c3ccccc32)C1C(=O)N1CCC[C@@H]1C(=O)O | 10.1021/jm00048a001 | ||
| CHEMBL332782 | 113601 | 0 | None | 9 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 538 | 5 | 2 | 3 | 4.8 | O=C(NCC1C2CC3CC(C2)CC1C3)C1C2c3ccccc3C(c3ccccc32)C1C(=O)N1CCC[C@@H]1C(=O)O | 10.1021/jm00048a001 | ||
| 15297881 | 112993 | 0 | None | - | 1 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 411 | 6 | 2 | 2 | 4.3 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCCCc1ccccc1 | 10.1021/jm00048a001 | ||
| CHEMBL332061 | 112993 | 0 | None | - | 1 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 411 | 6 | 2 | 2 | 4.3 | O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCCCc1ccccc1 | 10.1021/jm00048a001 | ||
| 44280156 | 167746 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| CHEMBL434199 | 167746 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 667 | 8 | 3 | 5 | 6.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O | 10.1016/s0960-894x(98)00231-5 | ||
| 44272041 | 96623 | 0 | None | 338 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1274 | 26 | 13 | 15 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| CHEMBL267329 | 96623 | 0 | None | 338 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1274 | 26 | 13 | 15 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00126a007 | ||
| 11642370 | 139628 | 0 | None | 95 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 540 | 7 | 1 | 6 | 5.7 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-n3ccnc3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| CHEMBL380363 | 139628 | 0 | None | 95 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 540 | 7 | 1 | 6 | 5.7 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-n3ccnc3)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm051219x | ||
| 16732592 | 143038 | 0 | None | 870 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 572 | 8 | 2 | 7 | 4.9 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3c(cnn3CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL389933 | 143038 | 0 | None | 870 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 572 | 8 | 2 | 7 | 4.9 | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3c(cnn3CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 | 10.1021/jm070139l | ||
| CHEMBL64605 | 214069 | 6 | None | 4 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||||
| 44451877 | 95522 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 587 | 7 | 1 | 6 | 6.9 | Cc1nc(-c2cccc(NC(=O)CN3C(=O)N(CC(=O)C(C)(C)C)c4ccccc4N(C4CCCCC4)C3=O)c2)cs1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL259557 | 95522 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 587 | 7 | 1 | 6 | 6.9 | Cc1nc(-c2cccc(NC(=O)CN3C(=O)N(CC(=O)C(C)(C)C)c4ccccc4N(C4CCCCC4)C3=O)c2)cs1 | 10.1016/j.bmc.2007.12.047 | ||
| 44451920 | 95667 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 519 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| CHEMBL260394 | 95667 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 519 | 7 | 2 | 5 | 5.5 | CNc1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1 | 10.1016/j.bmc.2007.12.047 | ||
| 10698558 | 116705 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL339451 | 116705 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@H](Oc2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL120632 | 206853 | 30 | None | -5 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm9603072 | ||||
| CHEMBL3350665 | 209726 | 0 | None | 3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00174a016 | ||||
| CHEMBL120632 | 206853 | 30 | None | -5 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0000416 | ||||
| 118718880 | 114912 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 543 | 10 | 4 | 4 | 4.8 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm00087a011 | ||
| CHEMBL3350394 | 114912 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 543 | 10 | 4 | 4 | 4.8 | O=C(O)C[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 | 10.1021/jm00087a011 | ||
| CHEMBL1172246 | 206829 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC1=O | 10.1016/j.bmcl.2010.05.078 | ||||
| 44408483 | 168352 | 0 | None | -275 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1212 | 31 | 12 | 15 | 3.7 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL438739 | 168352 | 0 | None | -275 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1212 | 31 | 12 | 15 | 3.7 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| 44408484 | 136970 | 0 | None | -18197 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 1033 | 30 | 13 | 12 | 1.4 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| CHEMBL375412 | 136970 | 0 | None | -18197 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 1033 | 30 | 13 | 12 | 1.4 | CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1021/jm050851n | ||
| 44418924 | 156328 | 0 | None | -18620 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| CHEMBL407198 | 156328 | 0 | None | -18620 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 1031 | 27 | 13 | 12 | 0.2 | CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 | 10.1021/jm061268p | ||
| 10839906 | 109926 | 0 | None | - | 1 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 528 | 5 | 1 | 4 | 5.1 | CC(=O)N1[C@H](C(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL324557 | 109926 | 0 | None | - | 1 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 528 | 5 | 1 | 4 | 5.1 | CC(=O)N1[C@H](C(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 10676691 | 15372 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 663 | 19 | 7 | 7 | 0.7 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCN | 10.1021/jm0000416 | ||
| CHEMBL122012 | 15372 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 663 | 19 | 7 | 7 | 0.7 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCN | 10.1021/jm0000416 | ||
| 19043358 | 4280 | 0 | None | -22 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 490 | 6 | 2 | 3 | 5.6 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccc(Cl)cc21 | 10.1016/0960-894X(95)00528-2 | ||
| CHEMBL101125 | 4280 | 0 | None | -22 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 490 | 6 | 2 | 3 | 5.6 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccc(Cl)cc21 | 10.1016/0960-894X(95)00528-2 | ||
| 19043395 | 4690 | 0 | None | -194 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 490 | 6 | 2 | 3 | 5.6 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2cc(Cl)ccc21 | 10.1016/0960-894X(95)00528-2 | ||
| CHEMBL103968 | 4690 | 0 | None | -194 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 490 | 6 | 2 | 3 | 5.6 | CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2cc(Cl)ccc21 | 10.1016/0960-894X(95)00528-2 | ||
| CHEMBL384035 | 210559 | 1 | None | -512 | 4 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2003.11.001 | ||||
| CHEMBL428666 | 210559 | 1 | None | -512 | 4 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2003.11.001 | ||||
| 10509945 | 88940 | 0 | None | -229 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 896 | 26 | 9 | 9 | 2.1 | CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| CHEMBL2369816 | 88940 | 0 | None | -229 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 896 | 26 | 9 | 9 | 2.1 | CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm990252e | ||
| 44345044 | 110563 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 643 | 7 | 1 | 8 | 5.9 | CC(=O)N1[C@H](C(=O)NCC2N=NN=N2)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL326293 | 110563 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 643 | 7 | 1 | 8 | 5.9 | CC(=O)N1[C@H](C(=O)NCC2N=NN=N2)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 15513853 | 112833 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 603 | 7 | 2 | 5 | 4.3 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2F)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| CHEMBL331719 | 112833 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 603 | 7 | 2 | 5 | 4.3 | CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2F)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm000960w | ||
| 15755202 | 114905 | 0 | None | - | 1 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 600 | 12 | 5 | 5 | 4.5 | O=C(O)CCC(=O)N[C@@H](CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 | 10.1021/jm00087a011 | ||
| CHEMBL3350356 | 114905 | 0 | None | - | 1 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 600 | 12 | 5 | 5 | 4.5 | O=C(O)CCC(=O)N[C@@H](CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 | 10.1021/jm00087a011 | ||
| 10793451 | 96057 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| CHEMBL262679 | 96057 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 585 | 8 | 3 | 5 | 5.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)O | 10.1021/jm970439a | ||
| 10253387 | 206034 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 453 | 7 | 4 | 4 | 3.2 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(=O)O | 10.1021/jm00072a005 | ||
| CHEMBL96036 | 206034 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 453 | 7 | 4 | 4 | 3.2 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(=O)O | 10.1021/jm00072a005 | ||
| 10628765 | 14122 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 734 | 23 | 7 | 7 | 2.4 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCC(=O)O | 10.1021/jm0000416 | ||
| CHEMBL119960 | 14122 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 734 | 23 | 7 | 7 | 2.4 | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCC(=O)O | 10.1021/jm0000416 | ||
| 10531 | 1387 | 18 | None | - | 24 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| 121 | 1387 | 18 | None | - | 24 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| 888 | 1387 | 18 | None | - | 24 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| CHEMBL1732 | 1387 | 18 | None | - | 24 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| DB00320 | 1387 | 18 | None | - | 24 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| 11954224 | 214164 | 0 | None | - | 60 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 9853654 | 22573 | 37 | None | - | 2 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | None | ||
| CHEMBL1328 | 22573 | 37 | None | - | 2 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | None | ||
| 9853654 | 22573 | 37 | None | -31 | 2 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | None | ||
| CHEMBL1328 | 22573 | 37 | None | -31 | 2 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | None | ||
| 4627 | 807 | 44 | None | - | 5 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 864 | 807 | 44 | None | - | 5 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 9833444 | 807 | 44 | None | - | 5 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL1121 | 807 | 44 | None | - | 5 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| DB09142 | 807 | 44 | None | - | 5 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 104929 | 2180 | 8 | None | 51 | 3 | Human | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 11738246 | ||
| 3477 | 2180 | 8 | None | 51 | 3 | Human | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 11738246 | ||
| 879 | 2180 | 8 | None | 51 | 3 | Human | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 11738246 | ||
| CHEMBL289498 | 2180 | 8 | None | 51 | 3 | Human | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | 11738246 | ||
| 4627 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 864 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 9833444 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1121 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB09142 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 443375 | 205862 | 40 | 125I-BH-CCK-8 | 2 | 5 | Mouse | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | None | ||
| CHEMBL9506 | 205862 | 40 | 125I-BH-CCK-8 | 2 | 5 | Mouse | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | None | ||
| 146158392 | 214486 | 0 | 125I-BH-CCK-8 | - | 1 | Mouse | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 1079 | 31 | 14 | 15 | -0.6 | CSCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(=O)O)N.N | None | ||
| 443375 | 205862 | 40 | 3H-pCCK8 | -389 | 5 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | None | ||
| CHEMBL9506 | 205862 | 40 | 3H-pCCK8 | -389 | 5 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 | None | ||
| 3476 | 1368 | 8 | 125I-CCK | -2 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 59751 | 1368 | 8 | 125I-CCK | -2 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 878 | 1368 | 8 | 125I-CCK | -2 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| CHEMBL39263 | 1368 | 8 | 125I-CCK | -2 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 4627 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 864 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 9833444 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1121 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB09142 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214484 | 0 | 125I-CCK-8 | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 438 | 3 | 2 | 3 | 3.8 | C1CN2C(=O)C(N=C(C3=C2C1=CC=C3)C4=CC=CC=C4F)NC(=O)C5=CC6=CC=CC=C6N5 | None | ||
| 3476 | 1368 | 8 | 125I-CCK-8 | -2 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 59751 | 1368 | 8 | 125I-CCK-8 | -2 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 878 | 1368 | 8 | 125I-CCK-8 | -2 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| CHEMBL39263 | 1368 | 8 | 125I-CCK-8 | -2 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 4627 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 864 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 9833444 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1121 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB09142 | 807 | 44 | 125I-CCK-8 | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 4627 | 807 | 44 | 3H-pCCK8 | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 864 | 807 | 44 | 3H-pCCK8 | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 9833444 | 807 | 44 | 3H-pCCK8 | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1121 | 807 | 44 | 3H-pCCK8 | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB09142 | 807 | 44 | 3H-pCCK8 | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 122077 | 2281 | 45 | 125I-CCK | - | 1 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 411 | 5 | 2 | 5 | 4.8 | OC(=O)Cn1c(cc2c1cccc2)C(=O)Nc1scc(n1)c1ccccc1Cl | None | ||
| 890 | 2281 | 45 | 125I-CCK | - | 1 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 411 | 5 | 2 | 5 | 4.8 | OC(=O)Cn1c(cc2c1cccc2)C(=O)Nc1scc(n1)c1ccccc1Cl | None | ||
| CHEMBL249973 | 2281 | 45 | 125I-CCK | - | 1 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 411 | 5 | 2 | 5 | 4.8 | OC(=O)Cn1c(cc2c1cccc2)C(=O)Nc1scc(n1)c1ccccc1Cl | None | ||
| DB04867 | 2281 | 45 | 125I-CCK | - | 1 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 411 | 5 | 2 | 5 | 4.8 | OC(=O)Cn1c(cc2c1cccc2)C(=O)Nc1scc(n1)c1ccccc1Cl | None | ||
| 4627 | 807 | 44 | 125I-BH-CCK-8 | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 864 | 807 | 44 | 125I-BH-CCK-8 | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 9833444 | 807 | 44 | 125I-BH-CCK-8 | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1121 | 807 | 44 | 125I-BH-CCK-8 | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB09142 | 807 | 44 | 125I-BH-CCK-8 | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 16129670 | 802 | 0 | 125I-CCK | -3 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 860 | 802 | 0 | 125I-CCK | -3 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 91898395 | 802 | 0 | 125I-CCK | -3 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 135398737 | 942 | 89 | 3H-CCK8 | -416 | 92 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-CCK8 | -416 | 92 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-CCK8 | -416 | 92 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-CCK8 | -416 | 92 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-CCK8 | -416 | 92 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 202 | 1475 | 0 | UNDEFINED | -9 | 33 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 60835 | 1475 | 0 | UNDEFINED | -9 | 33 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 972 | 1475 | 0 | UNDEFINED | -9 | 33 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| CHEMBL1175 | 1475 | 0 | UNDEFINED | -9 | 33 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| DB00476 | 1475 | 0 | UNDEFINED | -9 | 33 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 1222 | 1626 | 44 | 3H-CCK8 | -1659 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3396 | 1626 | 44 | 3H-CCK8 | -1659 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 85 | 1626 | 44 | 3H-CCK8 | -1659 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL46516 | 1626 | 44 | 3H-CCK8 | -1659 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| DB04842 | 1626 | 44 | 3H-CCK8 | -1659 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 1353 | 1872 | 85 | 3H-CCK8 | -691 | 86 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1872 | 85 | 3H-CCK8 | -691 | 86 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1872 | 85 | 3H-CCK8 | -691 | 86 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1872 | 85 | 3H-CCK8 | -691 | 86 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1872 | 85 | 3H-CCK8 | -691 | 86 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 135398745 | 2858 | 108 | 3H-CCK8 | -512 | 66 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | 3H-CCK8 | -512 | 66 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | 3H-CCK8 | -512 | 66 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | 3H-CCK8 | -512 | 66 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2181 | 3067 | 0 | 3H-CCK8 | -831 | 35 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 4830 | 3067 | 0 | 3H-CCK8 | -831 | 35 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 92 | 3067 | 0 | 3H-CCK8 | -831 | 35 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| CHEMBL440294 | 3067 | 0 | 3H-CCK8 | -831 | 35 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| DB09286 | 3067 | 0 | 3H-CCK8 | -831 | 35 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 2337 | 3193 | 72 | 3H-CCK8 | -112 | 63 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3193 | 72 | 3H-CCK8 | -112 | 63 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3193 | 72 | 3H-CCK8 | -112 | 63 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3193 | 72 | 3H-CCK8 | -112 | 63 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3193 | 72 | 3H-CCK8 | -112 | 63 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2389 | 3267 | 114 | 3H-CCK8 | -3235 | 68 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3267 | 114 | 3H-CCK8 | -3235 | 68 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3267 | 114 | 3H-CCK8 | -3235 | 68 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3267 | 114 | 3H-CCK8 | -3235 | 68 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3267 | 114 | 3H-CCK8 | -3235 | 68 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 2435 | 3520 | 78 | 3H-CCK8 | -1949 | 49 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 60149 | 3520 | 78 | 3H-CCK8 | -1949 | 49 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 98 | 3520 | 78 | 3H-CCK8 | -1949 | 49 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| CHEMBL12713 | 3520 | 78 | 3H-CCK8 | -1949 | 49 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| DB06144 | 3520 | 78 | 3H-CCK8 | -1949 | 49 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 2865 | 4064 | 67 | 3H-CCK8 | -2041 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4064 | 67 | 3H-CCK8 | -2041 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4064 | 67 | 3H-CCK8 | -2041 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4064 | 67 | 3H-CCK8 | -2041 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4064 | 67 | 3H-CCK8 | -2041 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 103 | 4074 | 56 | 3H-CCK8 | -831 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4074 | 56 | 3H-CCK8 | -831 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4074 | 56 | 3H-CCK8 | -831 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4074 | 56 | 3H-CCK8 | -831 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4074 | 56 | 3H-CCK8 | -831 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 115237 | 55281 | 113 | 3H-CCK8 | -4265 | 55 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55281 | 113 | 3H-CCK8 | -4265 | 55 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 46780481 | 107032 | 18 | 3H-CCK8 | -5888 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107032 | 18 | 3H-CCK8 | -5888 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107032 | 18 | 3H-CCK8 | -5888 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107032 | 18 | 3H-CCK8 | -5888 | 54 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 5656 | 201368 | 82 | UNDEFINED | -7 | 43 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| CHEMBL637 | 201368 | 82 | UNDEFINED | -7 | 43 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| 54841 | 201428 | 51 | UNDEFINED | -1 | 30 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| CHEMBL641 | 201428 | 51 | UNDEFINED | -1 | 30 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| 3075702 | 215584 | 0 | 3H-Devazepide | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | ||
| 1192 | 147 | 41 | 3H-CCK8 | -162 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | None | ||
| 1794 | 147 | 41 | 3H-CCK8 | -162 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | None | ||
| CHEMBL501701 | 147 | 41 | 3H-CCK8 | -162 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | None | ||
| 119376 | 1803 | 41 | 3H-L364718 | -54954 | 27 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 247 | 1803 | 41 | 3H-L364718 | -54954 | 27 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| CHEMBL33884 | 1803 | 41 | 3H-L364718 | -54954 | 27 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 3294 | 1967 | 106 | 3H-L354718 | -323 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1967 | 106 | 3H-L354718 | -323 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1967 | 106 | 3H-L354718 | -323 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1967 | 106 | 3H-L354718 | -323 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1967 | 106 | 3H-L354718 | -323 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 1614 | 2307 | 60 | 125I-CCK-8 | - | 1 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 460 | 14 | 2 | 4 | 4.0 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC | None | ||
| 60182 | 2307 | 60 | 125I-CCK-8 | - | 1 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 460 | 14 | 2 | 4 | 4.0 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC | None | ||
| 892 | 2307 | 60 | 125I-CCK-8 | - | 1 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 460 | 14 | 2 | 4 | 4.0 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC | None | ||
| CHEMBL206025 | 2307 | 60 | 125I-CCK-8 | - | 1 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 460 | 14 | 2 | 4 | 4.0 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC | None | ||
| 243 | 3141 | 85 | 3H-CCK8 | -1096 | 34 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 3052762 | 3141 | 85 | 3H-CCK8 | -1096 | 34 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 3502 | 3141 | 85 | 3H-CCK8 | -1096 | 34 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| CHEMBL117287 | 3141 | 85 | 3H-CCK8 | -1096 | 34 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| DB06480 | 3141 | 85 | 3H-CCK8 | -1096 | 34 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 108107 | 79519 | 30 | 3H-CCK8 | -15 | 16 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | None | ||
| 156592250 | 79519 | 30 | 3H-CCK8 | -15 | 16 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | None | ||
| CHEMBL1256878 | 79519 | 30 | 3H-CCK8 | -15 | 16 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | None | ||
| CHEMBL212579 | 79519 | 30 | 3H-CCK8 | -15 | 16 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | None | ||
| 3025067 | 98910 | 58 | 3H-CCK8 | -512 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | None | ||
| 65853 | 98910 | 58 | 3H-CCK8 | -512 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | None | ||
| CHEMBL282614 | 98910 | 58 | 3H-CCK8 | -512 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | None | ||
| 44208932 | 140163 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| CHEMBL381689 | 140163 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| 4595 | 176131 | 102 | 3H-CCK8 | -6 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | None | ||
| CHEMBL46 | 176131 | 102 | 3H-CCK8 | -6 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | None | ||
| 1973 | 201781 | 12 | 3H-Devazepide | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL1394464 | 201781 | 12 | 3H-Devazepide | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL66089 | 201781 | 12 | 3H-Devazepide | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| 16231 | 205766 | 53 | 3H-CCK8 | -7 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 229 | 1 | 5 | 6 | -1.1 | N=C(N)NC(=O)c1nc(Cl)c(N)nc1N | None | ||
| CHEMBL945 | 205766 | 53 | 3H-CCK8 | -7 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 229 | 1 | 5 | 6 | -1.1 | N=C(N)NC(=O)c1nc(Cl)c(N)nc1N | None | ||
| None | 214742 | 0 | 3H-CCK8 | -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 | ||
| 10478703 | 119394 | 1 | 125I-BH-CCK-85 | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(NC(=O)NC2N=C(N3CC4CCC(CC4)C3)c3ccccc3N(C)C2=O)c1 | None | ||
| CHEMBL349291 | 119394 | 1 | 125I-BH-CCK-85 | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 445 | 2 | 2 | 4 | 4.0 | Cc1cccc(NC(=O)NC2N=C(N3CC4CCC(CC4)C3)c3ccccc3N(C)C2=O)c1 | None | ||
| 104929 | 2180 | 8 | 125I-BH-CCK-8 | -51 | 3 | Mouse | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 3477 | 2180 | 8 | 125I-BH-CCK-8 | -51 | 3 | Mouse | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 879 | 2180 | 8 | 125I-BH-CCK-8 | -51 | 3 | Mouse | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| CHEMBL289498 | 2180 | 8 | 125I-BH-CCK-8 | -51 | 3 | Mouse | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 1614 | 2307 | 60 | 125I-CCK-8 | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 460 | 14 | 2 | 4 | 4.0 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC | None | ||
| 60182 | 2307 | 60 | 125I-CCK-8 | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 460 | 14 | 2 | 4 | 4.0 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC | None | ||
| 892 | 2307 | 60 | 125I-CCK-8 | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 460 | 14 | 2 | 4 | 4.0 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC | None | ||
| CHEMBL206025 | 2307 | 60 | 125I-CCK-8 | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 460 | 14 | 2 | 4 | 4.0 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC | None | ||
| 3476 | 1368 | 8 | 125I-CCK-8 | -2 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 59751 | 1368 | 8 | 125I-CCK-8 | -2 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 878 | 1368 | 8 | 125I-CCK-8 | -2 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| CHEMBL39263 | 1368 | 8 | 125I-CCK-8 | -2 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 408 | 3 | 2 | 3 | 3.7 | O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 1614 | 2307 | 60 | 125I-CCK-8 | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 460 | 14 | 2 | 4 | 4.0 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC | None | ||
| 60182 | 2307 | 60 | 125I-CCK-8 | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 460 | 14 | 2 | 4 | 4.0 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC | None | ||
| 892 | 2307 | 60 | 125I-CCK-8 | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 460 | 14 | 2 | 4 | 4.0 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC | None | ||
| CHEMBL206025 | 2307 | 60 | 125I-CCK-8 | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 460 | 14 | 2 | 4 | 4.0 | CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC | None | ||
| None | 214485 | 0 | UNDEFINED | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 809 | 18 | 11 | 11 | 1.5 | CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC(C3=CC=CC=C3)NC(=O)CCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6.CNCC(C(C(C(CO)O)O)O)O | None | ||
| 4595 | 176131 | 102 | None | -6 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | None | ||
| CHEMBL46 | 176131 | 102 | None | -6 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | None | ||
| 9853654 | 22573 | 37 | 125I-BH-CCK-8 | -31 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | None | ||
| CHEMBL1328 | 22573 | 37 | 125I-BH-CCK-8 | -31 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | None | ||
| 9853654 | 22573 | 37 | None | 31 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | None | ||
| CHEMBL1328 | 22573 | 37 | None | 31 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 767 | 20 | 8 | 9 | 1.5 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | None | ||
| 104929 | 2180 | 8 | 125I-BH-CCK-85 | -165 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 3477 | 2180 | 8 | 125I-BH-CCK-85 | -165 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 879 | 2180 | 8 | 125I-BH-CCK-85 | -165 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| CHEMBL289498 | 2180 | 8 | 125I-BH-CCK-85 | -165 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 398 | 3 | 2 | 3 | 4.0 | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 | None | ||
| 4627 | 807 | 44 | None | 1 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 864 | 807 | 44 | None | 1 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 9833444 | 807 | 44 | None | 1 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL1121 | 807 | 44 | None | 1 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| DB09142 | 807 | 44 | None | 1 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 4627 | 807 | 44 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 864 | 807 | 44 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 9833444 | 807 | 44 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL1121 | 807 | 44 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| DB09142 | 807 | 44 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 5311400 | 3229 | 1 | None | -2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 14698161 | ||||
| 900 | 3229 | 1 | None | -2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 14698161 | ||||
| CHEMBL262197 | 3229 | 1 | None | -2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 14698161 | ||||
| 3294 | 1967 | 106 | None | -323 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1967 | 106 | None | -323 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1967 | 106 | None | -323 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1967 | 106 | None | -323 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1967 | 106 | None | -323 | 45 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 885 | 3775 | 0 | None | -1584 | 2 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 619 | 10 | 3 | 6 | 5.1 | O=C([C@@H](NC(=O)c1cc2c([nH]1)cccc2)CSc1ncccc1C(=O)O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 | 8730754 | ||
| 9873836 | 3775 | 0 | None | -1584 | 2 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 619 | 10 | 3 | 6 | 5.1 | O=C([C@@H](NC(=O)c1cc2c([nH]1)cccc2)CSc1ncccc1C(=O)O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 | 8730754 | ||
| 859 | 469 | 0 | None | -7943 | 2 | Rat | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 9476993 | ||||
| 896 | 584 | 0 | None | - | 1 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 1614411 | ||||
| 906 | 3316 | 0 | None | - | 1 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 474 | 9 | 3 | 4 | 3.1 | O=C(Nc1cccc(c1)CC(=O)O)NCC(=O)N(c1ccccc1)CC(=O)N(c1ccccc1)C | 7813588 | ||
| 9847721 | 3316 | 0 | None | - | 1 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 474 | 9 | 3 | 4 | 3.1 | O=C(Nc1cccc(c1)CC(=O)O)NCC(=O)N(c1ccccc1)CC(=O)N(c1ccccc1)C | 7813588 | ||
| 901 | 303 | 0 | None | - | 1 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 544 | 11 | 3 | 5 | 5.1 | CCOC(CN1c2ccccc2[C@@](C1=O)(CC(=O)Nc1ccc(cc1)C)NC(=O)Nc1ccc(cc1)C)OCC | 11738246 | ||
| 9807431 | 303 | 0 | None | - | 1 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 544 | 11 | 3 | 5 | 5.1 | CCOC(CN1c2ccccc2[C@@](C1=O)(CC(=O)Nc1ccc(cc1)C)NC(=O)Nc1ccc(cc1)C)OCC | 11738246 | ||
| 895 | 583 | 0 | None | - | 1 | Rat | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 14698161 | ||||
| 907 | 4054 | 0 | None | - | 1 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 520 | 6 | 3 | 5 | 4.7 | O=C(N[C@@H]1CN(C2CCCCC2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2)Nc1cccc(c1)C(=O)O | 17901954 | ||
| 9872609 | 4054 | 0 | None | - | 1 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 520 | 6 | 3 | 5 | 4.7 | O=C(N[C@@H]1CN(C2CCCCC2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2)Nc1cccc(c1)C(=O)O | 17901954 | ||
| CHEMBL4303633 | 4054 | 0 | None | - | 1 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 520 | 6 | 3 | 5 | 4.7 | O=C(N[C@@H]1CN(C2CCCCC2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2)Nc1cccc(c1)C(=O)O | 17901954 | ||
| 887 | 4035 | 24 | None | -1 | 4 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 11738246 | ||
| 9870520 | 4035 | 24 | None | -1 | 4 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 11738246 | ||
| CHEMBL324547 | 4035 | 24 | None | -1 | 4 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 11738246 | ||
| DB12355 | 4035 | 24 | None | -1 | 4 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 498 | 6 | 3 | 6 | 4.1 | CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2 | 11738246 | ||